ChemicalBook >> CAS DataBase List >>N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester

N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester

N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester structure

CAS No.: 1334513-02-8

Chemical Name:: N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester

Synonyms: SF-1.2;ATP-FTP-phoph;Sofosbuvir imp-75;Sofosbuvir-003-SS;SofosBuvir Impurity 15;Sofosbuvir InterMediates;Sofibuvir intermediate 1;Sofosbuvir Intermediate 5;Sofosbuvir side chain N-1;Sofosbuvir InterMediates4

CBNumber:: CB92604353

Molecular Formula:: C18H17F5NO5P

Molecular Weight:: 453.3

MDL Number:: MFCD22665799

MOL File:: 1334513-02-8.mol

MSDS File:: SDS

TDS File:: TDS

Last updated:2026-05-28 06:04:25

Product description	Number	Pack Size	Price
L-Alanine N-[(S)-(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphinyl]-1-methylethylester	112500	1.00g	$303
(S)-Isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate 97.0%	I10562	5g	$12
(S)-Isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate 97.0%	I10562	10g	$14
(S)-Isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate 97.0%	I10562	25g	$20
(S)-Isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate 97.0%	I10562	50g	$40
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N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester Properties

Melting point	133-135°C
Boiling point	442.6±55.0 °C(Predicted)
Density	1.405
vapor pressure	0Pa at 25℃
storage temp.	2-8°C
solubility	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka	-3.81±0.70(Predicted)
form	Solid
color	White
InChI	InChI=1/C18H17F5NO5P/c1-9(2)27-18(25)10(3)24-30(26,28-11-7-5-4-6-8-11)29-17-15(22)13(20)12(19)14(21)16(17)23/h4-10H,1-3H3,(H,24,26)/t10-,30/s3
InChIKey	MIILDBHEJQLACD-YPKMSJFYNA-N
SMILES	C(OC(C)C)(=O)[C@H](C)NP(OC1=C(F)C(F)=C(F)C(F)=C1F)(OC1=CC=CC=C1)=O \|&1:6,r\|
LogP	4.1 at 30℃ and pH7.37

SAFETY

Risk and Safety Statements

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315-H319-H332-H335
Precautionary statements	P280-P305+P351+P338-P310
HS Code	2931599090
REACH Registrations	Active

N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester price More Price(27)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Matrix Scientific	112500	L-Alanine N-[(S)-(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphinyl]-1-methylethylester	1334513-02-8	1.00g	$303	2026-05-18	Buy
Synthonix	I10562	(S)-Isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate 97.0%	1334513-02-8	5g	$12	2026-05-06	Buy
Synthonix	I10562	(S)-Isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate 97.0%	1334513-02-8	10g	$14	2026-05-06	Buy
Synthonix	I10562	(S)-Isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate 97.0%	1334513-02-8	25g	$20	2026-05-06	Buy
Synthonix	I10562	(S)-Isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate 97.0%	1334513-02-8	50g	$40	2026-05-06	Buy

Product number	Packaging	Price	Buy
112500	1.00g	$303	Buy
I10562	5g	$12	Buy
I10562	10g	$14	Buy
I10562	25g	$20	Buy
I10562	50g	$40	Buy

N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester Chemical Properties,Uses,Production

Uses

N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl Ester is a reactant in the synthesis of phosphoramidate imidazo[2,1-f][1,2,4]triazine-4-amine adenosine prodrugs that can increase anti-HCV activity.

Synthesis

771-61-9

770-12-7

39613-92-8

N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester

1334513-02-8

Phenyl dichlorophosphate (64.2 mL, 430 mmol) and dichloromethane (DCM, 1200 mL) were added to a reaction vial containing (S)-isopropyl 2-aminopropionic acid hydrochloride (72.0 g, 430 mmol). The reaction mixture was cooled to -70 to -78°C using a dry ice-acetone bath, followed by slow dropwise addition of triethylamine (120 mL, 859 mmol) over 30 min. The temperature was maintained at -70 to -78°C with stirring for 30 minutes, then the reaction mixture was allowed to slowly warm to room temperature and stirring was continued for 1 hour. Subsequently, the reaction mixture was cooled to 0-5°C in an ice bath and 100 mL of DCM solution containing 2,3,4,5,6-pentafluorophenol (79 g, 430 mmol) and triethylamine (59.9 mL, 430 mmol) was added slowly over a dropwise period of 30 minutes. The resulting mixture was stirred at -70 to -78°C for 30 minutes, then warmed to room temperature and stirred for 2 hours. Upon completion of the reaction, the solid was collected by filtration and the filter cake was washed with 200 mL of ethyl acetate. The filtrate and washings were combined and concentrated to a semi-solid state by vacuum distillation. This semi-solid was dissolved in 500 mL of ethyl acetate and washed sequentially with water and brine. The aqueous phase was back-extracted with 50 mL of ethyl acetate. The organic layers were combined, dried with anhydrous MgSO4 and concentrated to give 210 g of crude product in 100% yield.NMR analysis showed the crude product to be a 1:1 mixture of diastereoisomers. To obtain the target SS diastereoisomers, kinetic splitting was performed: the crude product was suspended in 500 mL of 20% ethyl acetate/hexane, and 20 mL of 20% ethyl acetate/hexane solution containing 5 g of pentafluorophenol, 10 mL of triethylamine, and 100 mg of dimethylaminopyridine was added. The reaction mixture was heated to 45-50°C kept for 30 minutes and then stirred overnight. The white solid was collected by filtration, washed with 200 mL of 20% ethyl acetate/hexane and 100 mL of hexane, and dried under vacuum at 40°C to give 98 g of white solid, which was shown to be predominantly SS diastereoisomer by NMR analysis. The filtrate and washings were combined and concentrated to give a semi-solid, mainly another diastereoisomer and impurities. This residue was dissolved in 150 mL of ethyl acetate and washed sequentially with 50 mL of 1N HCl, water and 5% K2CO3 solution. The organic layer was dried and concentrated, and the white residue was suspended in 100 mL of 20% ethyl acetate/hexane, the solid was collected by filtration, washed with 20% ethyl acetate/hexane and hexanes, and dried to give 22 g of white solid, which was shown to be predominantly the SS diastereoisomer by NMR analysis. The total product weight after splitting was 120 g in 61.6% yield.

References

[1] Patent: WO2017/223421, 2017, A1. Location in patent: Page/Page column 68; 69
[2] Patent: WO2016/30335, 2016, A1. Location in patent: Page/Page column 51
[3] Patent: CN107405356, 2017, A. Location in patent: Paragraph 0209; 0210; 0213; 0214; 0215; 0216; 0217
[4] Journal of Organic Chemistry, 2011, vol. 76, # 20, p. 8311 - 8319
[5] Patent: WO2016/99982, 2016, A2. Location in patent: Page/Page column 55

N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester Preparation Products And Raw materials

Raw materials

L-Alanine, N-(chlorophenoxyphosphinyl)-, 1-Methylethyl ester L-Alanine, N-[(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-, 1-Methylethyl ester Pentafluorophenol Phenyl dichlorophosphate SODIUM PENTAFLUOROPHENOXIDE

D-Alanine Isopropyl Ester HCl Triethylamine Dichloromethane

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Preparation Products

Sofosbuvir

N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester Suppliers

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Supplier	Tel	Email	Country	ProdList	Advantage
Shanghai Yingrui Biopharma Co.,Ltd	21-33585366	export01@shyrchem.com	CHINA	1319	58
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Capot Chemical Co.,Ltd.	+8613336195806	sales@capot.com	China	29640	60
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Henan Tianfu Chemical Co.,Ltd.	+86-0371-55170693 +86-19937530512	info@tianfuchem.com	China	21588	55
Fluoropharm Co., Ltd.	+86-0571-85586753 +86-13336034509	sales@fluoropharm.com	China	1445	60
ATK CHEMICAL COMPANY LIMITED	+undefined-21-51877795	ivan@atkchemical.com	China	33024	60
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Changzhou Ansciep Chemical Co., Ltd.	+86 519 86305871	sales@ansciepchem.com	CHINA	4241	58

Supplier	Advantage
Shanghai Yingrui Biopharma Co.,Ltd	58
airuikechemical co., ltd.	58
Capot Chemical Co.,Ltd.	60
Beijing Cooperate Pharmaceutical Co.,Ltd	55
Hi-Tech Chemistry Corp	58
Henan Tianfu Chemical Co.,Ltd.	55
Fluoropharm Co., Ltd.	60
ATK CHEMICAL COMPANY LIMITED	60
career henan chemical co	58
Changzhou Ansciep Chemical Co., Ltd.	58

View Lastest Price from N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2026-05-15	N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester 1334513-02-8	US $161.00 / g	500g	99%	100KG	Baoji Guokang Healthchem Co., Ltd.
2025-11-18	N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester 1334513-02-8	US $1.10 / g	1g	99.0% Min	100 Tons	Dideu Industries Group Limited
2025-04-04	N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester 1334513-02-8	US $0.00-0.00 / KG	1KG	98%	1Ton	Henan Aochuang Chemical Co.,Ltd.

N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester
1334513-02-8
US $161.00 / g
99%
Baoji Guokang Healthchem Co., Ltd.

N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester
1334513-02-8
US $1.10 / g
99.0% Min
Dideu Industries Group Limited

N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester
1334513-02-8
US $0.00-0.00 / KG
98%
Henan Aochuang Chemical Co.,Ltd.

N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester Spectrum

N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester(1334513-02-8)¹HNMR

1334513-02-8(N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester)Related Search:

Sofosbuvir Impurity13 Sofosbuvir (R)-isopropyl 2-(((R)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate ((2R,3R,4R,5R)-3-(benzoyloxy)-4-chloro-5-(2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)-4-Methyltetrahydrofuran-2-yl)Methyl benzoate Sofosbuvir Impurity24

(2R,3R,4R,5R)-5-(4-benzaMido-2-oxopyriMidin-1(2H)-yl)-2-((benzoyloxy)Methyl)-4-chloro-4-Methyltetrahydrofuran-3-yl benzoate D-Alanine, N-[[P(R),2'R]-2'-deoxy-2'-fluoro-2'-Methyl-P-phenyl-5'-uridylyl]-, 1-Methylethyl ester Sofosbuvir Impurity25 Sofosbuvir metabolites GS566500 D-Alanine, N-[[P(S),2'R]-2'-cyano-2'-deoxy-2'-Methyl-P-phenyl-5'-cytidylyl]-, 1-Methylethyl ester

Sofosbuvir IMpurity 4 L-Alanine, N-[(R)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-, 1-Methylethyl ester (3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxyMethyl)-3-Methyl-dihydrofuran-2(3H)-one L-Alanine isopropyl ester hydrochloride (2'R)-2'-Deoxy-2'-fluoro-2'-Methyl-uridine 3',5'-dibenzoate

2'-deoxy-2'-fluoro-2'-C-methyluridine PSI-6130 derivative ((2R,3R,4R)-3-(benzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl benzoate

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1. (S)-isopropyl2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl) N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester　(SIDE CHAIN) L-Alanine, N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-, 1-methylethyl ester propan-2-yl (2S)-2-{[(S)-pentafluorophenoxy(phenoxy)phosphoryl]amino}propanoate Sofosbuvir side chain N-1 Sofosbuvir Intermediate 5 isopropyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester (S)-isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)aMino)propanoate Isopropyl N-[(pentafluorophenoxy)(phenoxy)phosphoryl]-L-alaninate Sofosbuvir InterMediates (2S)-isopropyl 2-(((perfluorophenoxy)(phenoxy)phosphoryl)aMino)propanoate SofosBuvir Impurity 15 2'-Defluro-2'-hydroxy 2'-epi-Sofosbuvir Isopropyl (2S)-2-[[(S)-(Perfluorophenoxy)(phenoxy)phosphoryl]amino]propionate Sofosbuvir InterMediates4 isopropyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alanite ((2R,3R,4S,5R)-3-(benzoyloxy)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-4-methyltetrahydrofuran-2-yl)methyl benzoate Sofosbuvir imp-75 N-[(S)-(2,3,4,5,6-pentafluorophenoxy) phenoxyphosphatidyl ]- L- alanine isopropyl ester N-[(S)-(2,3,4,5, 6-pentafluorophenoxy) phenoxyphosphoacyl] -L-alanine isopropyl ester SF-1.2 propan-2-yl(2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate Sofosbuvir-003-SS N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester ISO 9001：2015 REACH ATP-FTP-phoph L-alanien,N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)-phenoxy-phosphinyl]-1-Methylethylester 6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester Isopropyl N-[(pentafluorophenoxy)(phenoxy)phosphoryl]-L-alan... (R)-Sofosbuvir Pentafluorophenoxy AnalogueQ: What is (R)-Sofosbuvir Pentafluorophenoxy Analogue Q: What is the CAS Number of (R)-Sofosbuvir Pentafluorophenoxy Analogue Q: What is the storage condition of (R)-Sofosbuvir Pentafluorophenoxy Analogue Q: What are the applications of (R)-Sofosbuvir Pentafluorophenoxy Analogue (R)-Sofosbuvir Pentafluorophenoxy Analogue 8 N-[(S)-(2,3,4,5,6 pentafluorophenoxy) phenoxyphosphinyl]-L-alanine 1-Methylethyl ester N-[(S)-(2,3,4,5, 6-pentafluorophenoxy) phenoxyphosphoryl] -L-alanine isopropyl ester N - [(S) - (2,3,4,5,6-neneneba pentafluorophenyl oxy) phenoxyphosphoryl] - L-alanine isopropyl ester Isopropyl N-[(S)-(pentafluorophenoxy)(phenoxy)phosphoryl]-L-alaninate Sofibuvir intermediate 1 N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl este (2S)-Isopropyl-2-((perfluorophexyl) (phenoxy)phosphorylamino Propanoate N-[ -(2,3,4,5,6-pentafluoro phenoxy)phenoxy phosphinyl]-L-alanine-1-methyl ethyl ester Propan-2-yl N-[(S)-(pentafluorophenoxy)(phenoxy) phosphoryl]-L-alaninate N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-L-alanineisopropylester(SF-1) N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-L-alaninel-Methylethyl ester 1334513-02-8 C18H17F5NO5P Sofosbuvir intermediate Pharmaceuticalintermediates