ChemicalBook--->CAS DataBase List--->1378391-45-7

1378391-45-7

1378391-45-7 Structure

1378391-45-7 Structure
IdentificationBack Directory
[Name]

Velpatasvir intermediate
[CAS]

1378391-45-7
[Synonyms]

Velpatasvir R Isomer
intermediate for Velpatasvir
Boc Velpatasvir R Isomer (Imidazole)
Velpatasvir S,S Isomer (Imidazole) Boc
Velpatasvir intermediate ISO 9001:2015 REACH
Tert-Butyl(2S,4S)-2-(4-(2-((2S,5S)-1-((methoxycarbonyl)
tert-butyl (2S,4S)-2-(5-(2-((2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methyl
tert-butyl(2S,4S)-2-[5-(2-{(2S,5S)-1-[N-(methoxycarbonyl)-L-valyl]-5-methylpyrrolidin-2-yl}-1,11-
(2S,4S)-2-[5-[1,11-Dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-meth
(2S,4S)-2-[5-[1,11-Dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4
tert-butyl(2S,4S)-2-[5-(2-{(2S,5S)-1-[N-(methoxycarbonyl)-L-valyl]-5-methylpyrrolidin-2-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrro
(2S,4S)-2-[5-[1,11-Dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4',3':6,7]naphth[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxym
Tert-butyl (2S,4S)-2-(5-(2-((2S,5S)-1-((methoxycarbonyl)-L-valyl-5-methylpyrrrolidin-2-yl)-1,11-dihydroisocgromeno[4’,3’:6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-carboxylate
Tert-Butyl(2S,4S)-2-(4-(2-((2S,5S)-1-((methoxy carbonyl)-L-valyl)-5-methyl pyrrolidin-2-yl)-1,11-dihydro isochro-meno[4,3:6,7]Naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidine-1-carboxylate
tert-butyl (2S,4S)-2-[5-(2-{(2S,5S)-1-[N-(methoxycarbonyl)-L-valyl]-5-methylpyrrolidin-2-yl}-1,11-dihydroisochromeno[4′,3′:6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate
tert-butyl (2S,4S)-2-[5-(2-{(2S,5S)-1-[N-(methoxycarbonyl)-L-valyl]-5-methylpyrrolidin-2-yl}-1,11-dihydroisochromeno[4′,3′:6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate (N-2 step)
(2S,4S)-TERT-BUTYL 2-(5-(2-((2S,5S)-1-((S)-2-((METHOXYCARBONYL)AMINO)-3-METHYLBUTANOYL)-5-METHYLPYRROLIDIN-2-YL)-1,11-DIHYDROISOCHROMENO[4',3':6,7]NAPHTHO[1,2-D]IMIDAZOL-9-YL)-1H-IMIDAZOL-2-YL)-4-(METHOXYMETHYL)PYRROLIDINE-1-CARBOXYLATE
tert-butyl (2S,4S)-2-[5-(2-{(2S,5S)-1-[N-(methoxycarbonyl)-L-valyl]-5-methylpyrrolidin-2-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate (or) Oxidized compound
tert - buty ](2S,4S)-2-(5-(2-((2S,5S)-1-(( methoxycarbonyl )- L - valyl )-5- methylpyrrolidin -2- yl )-1,11- dihydroisochromeno [4,3':6,7] naphtho [1,2- d ] imidazol -9- yl )-1H- imidazol -2- yl )-4-( methoxymethyl ) pyrrolidin e -1- carboxylate
(2S,4S)-2-[5-[1,11-Dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4',3':6,7]naphth[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl
(2S,4S)-2-[5-[1,11-Dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4',3':6,7]naphth[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl e
(2S,4S)-2-[5-[1,11-Dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4',3':6,7]naphth[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl este
(2S,4S)-2-[5-[1,11-Dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4',3':6,7]naphth[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester
1-Pyrrolidinecarboxylic acid, 2-[5-[1,11-dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4',3':6,7]naphth[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)-, 1,1-dimethylethyl ester, (2S,4S)-
(2S,4S)-2-[5-[1,11-Dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzoChemicalbookpyrano[4',3':6,7]naphth[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinecarboxylicacid1,1-dimethylethyle
2S, 4S) -2- [5- [1,11-dihydro-2- [(2S, 5S) -1- [(2S) -2- [(methoxycarbonyl) amino] -3-methyl-1-oxobutyl] -5-methyl-2-pyrrolidine] [2] benzopyrano [4 ', 3': 6,7] naphtho [1,2-D] imidazole-9-yl] -1H-imidazo-2-yl] -4- (methoxymethyl) -1-pyrrolidine carboxylate tert butyl ester
[EINECS(EC#)]

807-100-0
[Molecular Formula]

C44H53N7O7
[MDL Number]

MFCD29037364
[MOL File]

1378391-45-7.mol
[Molecular Weight]

791.93
Chemical PropertiesBack Directory
[Boiling point ]

1045.8±65.0 °C(Predicted)
[density ]

1.275±0.06 g/cm3(Predicted)
[pka]

11.22±0.46(Predicted)
[InChIKey]

DMFDIPBYFDWGGH-FABOOFKTSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)C[C@@H](COC)C[C@H]1C1NC(C2=CC=C3C4C(OCC3=C2)=CC2=C3C(=CC=C2C=4)N=C([C@@H]2CC[C@H](C)N2C(=O)[C@@H](NC(OC)=O)C(C)C)N3)=CN=1
Safety DataBack Directory
[REACH Registrations]

Inactive
Hazard InformationBack Directory
[Uses]

Velpatasvir S, R Isomer (Imidazole) BOC acts as a reagent in the preparation of peptide analog as antiviral agents, preparation of condensed pentacyclic imidazole derivatives as antiviral compounds.
[Synthesis]

Synthesis_1378391-45-7
tot-Butyl (2S,4S)-2-[5-(2-{(2S,5S)-l-[N-(methoxycarbonyl)-L-valyl]-5-methylpyrrolidin-2-yl}- l,ll-dihydroisochromeno[4',3':6,7]naphtho[l,2-d]imidazol-9-yl)-lH-imidazol-2-yl]-4- (methoxymethyl)pyrrolidine-l-carboxylate tert-Butyl (2S,4S)-2-[5-(2- {(2S,5S)-l-[N-(methoxycarbonyl)-L-valyl]-5-methylpyrrolidin-2- yl} -l ,4,5,l l-tetrahydroisochromeno[4',3':6,7]naphtho[l,2-d]imidazol-9-yl)-lH-imidazol-2-yl]-4- (methoxymethyl)pyrrolidine-l-carboxylate (8.33 g, 1.049 mmol) was suspended in DCM and activated Mn02 (55.0 g, 630 mmol) was added in a single portion. After 13 h, MeOH (200 mL) was added and the slurry was filtered over celite. The filter cake was washed with MeOH (600 mL) and the filtrate was concentrated under reduced pressure. The crude material was purified by silica column chromatography (0% to 45% MeOH/EtOAc) to afford tert-butyl (2S,4S)-2-[5-(2- {(2S,5S)-l-[N- (methoxycarbonyl)-L-valyl] -5 -methylpyrrolidin-2-yl} -1,11- dihydroisochromeno[4',3':6,7]naphtho[l,2-d]imidazol-9-yl)-lH-imidazol-2-yl]-4- (methoxymethyl)pyrrolidine-l-carboxylate (4.85 g, 58%).
1378391-45-7 suppliers list
Company Name: Hangzhou Cheminspire Technology Co., Ltd.  Gold
Telephone: 0571-89081561; 10006559855
Website: http://www.cheminspire.com
Company Name: NANJING ZENJI PHARMACEUTICALS  Gold
Telephone: 0512-62750571
Website: www.zenjipharma.com/
Company Name: Shanghai Boc Chemical Co.,Ltd  
Telephone: 021-34975603-808 18721111801
Website: http://www.bocchem.com/
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Synches Co., Ltd.  
Telephone: 021-53292253
Website: www.synches.com
Company Name: Changzhou Joyous Chemical Co., Ltd.  
Telephone: 0519-85607258
Website: https://www.chemicalbook.com/ShowSupplierProductsList13820/0_EN.htm
Company Name: Acesys Pharmatech  
Telephone: 18860950986
Website: www.chemicalbook.com/ShowSupplierProductsList15849/0_EN.htm
Company Name: Suli Pharmaceutical Technology Co., Ltd.  
Telephone: 021-58086325-8060 13636568474
Website: http://www.sulipharm.com/
Company Name: Shanghai Twisun Bio-pharm Co.,Ltd  
Telephone: +86-21-33282107
Website: www.chemicalbook.com/ShowSupplierProductsList12711/0_EN.htm
Company Name: PharmaResources (Kaiyuan) Co., Ltd.  
Telephone: 021-50720228
Website: www.pharmaresources.cn
Company Name: Changzhou Yuanda Pharmaceutical Chemical Co., Ltd.  
Telephone: 0519-83984084
Website: http://www.ydpharm.com
Company Name: Shandong Juntai Pharmaceutical Co., LTD.  
Telephone: 15901008306
Website: www.h2opharm.com/
Company Name: Nanjing Duolong Bio-tech Co.,Ltd.  
Telephone: 18905173768
Website: http://www.dolonchem.com
Company Name: ChongQing Conscience Pharmaceuticals Ltd.  
Telephone: +86-023- 68549356 023-68548079
Website: www.chemicalbook.com/ShowSupplierProductsList16833/0_EN.htm
Company Name: Shanghai ForeFront Pharma  
Telephone: 13951772964
Website: www.forefrontpharma.com
Company Name: FarmaSino Pharmaceuticals (Anhui) Co.,Ltd.  
Telephone: +86-18512541987
Website: www.farmasino.com.cn
Company Name: Sinfachem Limited.  
Telephone: 025-84683399 13952017251
Website: http://www.sinfachem.com
Company Name: Shanghai Bocimed Pharmaceutical Co., Ltd.  
Telephone: +86(21)5895-0312
Website: www.bocimed.com
Tags:1378391-45-7 Related Product Information
1377604-63-1 1335316-40-9 1378391-43-5 1844064-96-5 50890-96-5 1378391-44-6 1378391-42-4 1377049-84-7 1378388-16-9 1438383-89-1 113400-36-5 487048-28-2