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Pivaloylacetonitrile

Pivaloylacetonitrile structure

CAS No.: 59997-51-2

Chemical Name:: Pivaloylacetonitrile

Synonyms: 4,4-DIMETHYL-3-OXOPENTANENITRILE;CYANOPINACOLONE;Pivaloylnitrile;1-Cyanopinacolone;TIMTEC-BB SBB008437;Pyvaolylacetonitrile;PIVALOYLACETONITRILE;Pivaloylacetonitrile>Pivaloylacetonitrile,97%;Pivaloylacetonitrile 97%

CBNumber:: CB7665596

Molecular Formula:: C7H11NO

Molecular Weight:: 125.17

MDL Number:: MFCD00010208

MOL File:: 59997-51-2.mol

MSDS File:: SDS

TDS File:: TDS

Last updated:2026-06-04 16:00:12

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Pivaloylacetonitrile Properties

Melting point	66-69 °C(lit.)
Boiling point	125-126 °C22 mm Hg(lit.)
Density	1.0459 (rough estimate)
refractive index	1.4693 (estimate)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
pka	10.25±0.10(Predicted)
form	Crystals or Crystalline Powder
color	White to cream
Water Solubility	Insoluble in water.
BRN	1746674
InChI	InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
InChIKey	MXZMACXOMZKYHJ-UHFFFAOYSA-N
SMILES	C(#N)CC(=O)C(C)(C)C
CAS DataBase Reference	59997-51-2(CAS DataBase Reference)
EWG's Food Scores	1
FDA UNII	MPF9VR4X5R
NIST Chemistry Reference	4,4-Dimethyl-3-oxopentanenitrile(59997-51-2)
EPA Substance Registry System	Pentanenitrile, 4,4-dimethyl-3-oxo- (59997-51-2)

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS06

Signal word

Danger

Hazard statements

H301

Precautionary statements

P264-P270-P301+P310a-P321-P405-P501a-P301+P310

Hazard Codes

Risk Statements

Safety Statements

36/37/39-45

RIDADR

UN 3439 6.1/PG 3

WGK Germany

RTECS

SA2991000

TSCA

TSCA listed

HazardClass

6.1

PackingGroup

III

HS Code

29269090

REACH Registrations

Active

Limited Quantities

5.0 kg (11 lbs) (solid)

Excepted Quantities

Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

NFPA 704

	1
2		0

Pivaloylacetonitrile price More Price(68)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
TCI Chemical	P1112	Pivaloylacetonitrile >98.0%(GC)	59997-51-2	25g	$48	2026-04-30	Buy
TCI Chemical	P1112	Pivaloylacetonitrile >98.0%(GC)	59997-51-2	500g	$390	2026-04-30	Buy
Usbiological	286426	Pivaloylacetonitrile Asreported	59997-51-2	1kg	$396	2026-06-03	Buy
Usbiological	286426	Pivaloylacetonitrile Asreported	59997-51-2	2kg	$586	2026-06-03	Buy
Usbiological	286426	Pivaloylacetonitrile Asreported	59997-51-2	5kg	$984	2026-06-03	Buy

Product number	Packaging	Price	Buy
P1112	25g	$48	Buy
P1112	500g	$390	Buy
286426	1kg	$396	Buy
286426	2kg	$586	Buy
286426	5kg	$984	Buy

Pivaloylacetonitrile Chemical Properties, Uses, Production

Chemical Properties

white to cream crystals or crystalline powder

Uses

Trimethylacetylacetonitrile is a useful intermediate. 4,4-Dimethyl-3-oxopentanenitrile has been used in the preparation of 4,4-dimethyl-3-oxo-2-benzylpentanenitrile, 4,4-dimethyl-3-oxo-2-(4-hydroxybenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(4-methoxybenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(4-fluorobenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(3,4-methylenedioxybenzyl)pentanenitrile, 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-phenylurea.

Synthesis

598-98-1

75-05-8

59997-51-2

1. NaH (50% in paraffin oil, 1.2 eq., 4.6 g) was added to 1,4-dioxane (120 ml) and stirred for several minutes to disperse the mixture. 2. Acetonitrile (1.2 eq., 4.2 g) was slowly added dropwise to the above mixture over a period of 15 minutes and stirring was continued for 30 minutes after completion of the addition. 3. Methyl pivalate (1 eq., 10 g) was added slowly and dropwise to the reaction system over 15 minutes, after which the reaction mixture was heated to reflux for 3 hours. 4. After completion of the reaction, the reaction mixture was poured into ice water (200 g) and the pH was adjusted to 4.5 with acid. 5. The aqueous phase was extracted several times with dichloromethane (12 x 250 ml) and the organic phase was combined. 6. The combined organic phases were dried with anhydrous sodium sulfate, filtered and concentrated. 7. The concentrate was recrystallized with hexane (100 ml) to give the brown solid product 4,4-dimethyl-3-oxopentanenitrile (5 g, 51% yield).

References

[1] Tetrahedron, 1993, vol. 49, # 23, p. 5091 - 5098
[2] Journal of the Chemical Society, Chemical Communications, 1992, # 1, p. 50 - 51
[3] Patent: WO2010/127855, 2010, A1. Location in patent: Page/Page column 95
[4] Patent: WO2010/127856, 2010, A1. Location in patent: Page/Page column 78
[5] Patent: US2012/46301, 2012, A1. Location in patent: Page/Page column 28; 29

Pivaloylacetonitrile synthesis

Synthesis of Pivaloylacetonitrile from Pinacolone

Pivaloylacetonitrile Preparation Products And Raw materials

Raw materials

Isoxazole, 3,5-bis(1,1-dimethylethyl)- N-Methoxy-N,2,2-trimethylpropanamide 1-Bromopinacolone Ethyl trimethylacetate Sodium cyanide

Methyl trimethylacetate 1-Chloropinacolone 1,4-Dioxane Acetonitrile Pinacolone

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Preparation Products

3-tert-Butylisoxazol-5-amine 5-Amino-3-tert-butyl-1-methylpyrazole

Pivaloylacetonitrile Suppliers

Global Suppliers ( 316)

Supplier	Tel	Email	Country	ProdList	Advantage
ShangHai Siyan Biological Technology Co., Ltd.	021-50908862，442785678，326799392 18721037013	siyansales@126.com	China	9612	58
shanghai science Bio-Pharmceutical.co,ltd.	021-021-57872719 13761402923	245662540@qq.com	China	299	60
Shanghai Bihe Biochemical Technology Co., Ltd	13816464724	colin@bihebio.com	China	937	58
Shanghai Boyle Chemical Co., Ltd.	021-50182298 021-50180596	sales@boylechem.com	China	2202	55
J & K SCIENTIFIC LTD.	18210857532 18210857532	jkinfo@jkchemical.com	China	96815	76
Alfa Aesar	400-6106006	saleschina@alfa-asia.com	China	30103	84
TCI (Shanghai) Development Co., Ltd.	021-67121386	Sales-CN@TCIchemicals.com	China	24512	81
Energy Chemical	400-0056266	sales8178@energy-chemical.com	China	44850	61
Wuhan Chemwish Technology Co., Ltd	86-027-67849912	sales@chemwish.com	China	35884	56
Beijing Ouhe Technology Co., Ltd	13552068683 13522913783	2355560935@qq.com	China	11777	60

Supplier	Advantage
ShangHai Siyan Biological Technology Co., Ltd.	58
shanghai science Bio-Pharmceutical.co,ltd.	60
Shanghai Bihe Biochemical Technology Co., Ltd	58
Shanghai Boyle Chemical Co., Ltd.	55
J & K SCIENTIFIC LTD.	76
Alfa Aesar	84
TCI (Shanghai) Development Co., Ltd.	81
Energy Chemical	61
Wuhan Chemwish Technology Co., Ltd	56
Beijing Ouhe Technology Co., Ltd	60

View Latest Price from Pivaloylacetonitrile manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2026-08-07	Pivaloylacetonitrile 59997-51-2		1KG	99%	20MT	Shaanxi Dideu Medichem Co. Ltd
2026-03-20	Pivaloylacetonitrile 59997-51-2	$9.90	1KG	99%	10 mt	Hebei Chuanghai Biotechnology Co., Ltd
2021-07-13	Pivaloylacetonitrile 59997-51-2	$10.00-15.00	1KG	99%+ HPLC		Zhuozhou Wenxi import and Export Co., Ltd

Pivaloylacetonitrile
59997-51-2
99%
Shaanxi Dideu Medichem Co. Ltd

Pivaloylacetonitrile
59997-51-2
$9.90
99%
Hebei Chuanghai Biotechnology Co., Ltd

Pivaloylacetonitrile
59997-51-2
$10.00-15.00
99%+ HPLC
Zhuozhou Wenxi import and Export Co., Ltd

Pivaloylacetonitrile Spectrum

Pivaloylacetonitrile(59997-51-2)MS Pivaloylacetonitrile(59997-51-2)¹HNMR Pivaloylacetonitrile(59997-51-2)¹³CNMR Pivaloylacetonitrile(59997-51-2)IR1 Pivaloylacetonitrile(59997-51-2)IR2 Pivaloylacetonitrile(59997-51-2)Raman

59997-51-2 (Pivaloylacetonitrile) Related Search:

Methylene dithiocyanate Dimethyl sulfide Dimethyl sebacate Iminodiacetonitrile 2-Chloro-3-cyanopyridine

Dimethyl sulfate Dimethyl fumarate Dimethyl carbonate Dimethyl ether Cyanoacetic acid

Dacthal Ethyl N-cyanoethanimideate Sodium cyanoborohydride Dimethyl sulfoxide N,N-Dimethylformamide

Ethane Ethyl 2-cyanoacrylate Methyl pivaloylacetate

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4,4-Dimethyl-3-oxopentanenitrile 4,4-Dimethyl-3-oxovaleronitrile Pivaloylacetonitrile, 97% 100GR Pivaloylacetonitrile, 97% 25GR Pivaloylacetonitrile, 97% 500GR Pivaloylacetonitrile, 1-Cyano-3,3-dimethylbutan-2-one, 4,4-Dimethyl-3-oxovaleronitrile Pyvaolylacetonitrile Pivaloylacetonitrile ,98% 4,4-diMethyl-3-O E nitrile Pivaloylacetonitrile, 1-Cyano-3,3-dimethylbutan-2-one 4,4-dimethyl-3-oxo-pentanenitril Pentanenitrile, 4,4-dimethyl-3-oxo- CYANOPINACOLONE 4,4-DIMETHYL-3-OXO-N-VALERONITRILE 4,4-dimethyl-3-oxovaleronitrile Pivaloyl Acetonitrile 99%min 4,4-DIMETHYL-3-OXOVALERONITRILE(PIVALOYLACETONITRILE) 4,4,-Dimethyl-3-Ox-Valeronitrile(Pivaloylacetonitrile) Trimethylacetylacetonitrile, 98+% 1-CYANO-3,3-DIMETHYL-2-BUTANONE PIVALOYLACETONITRILE TRIMETHYLACETYLACETONITRILE TIMTEC-BB SBB008437 1-Cyanopinacolone Trimethylacetylacetonitrile,99% 4,4-DIMETHYL-3-OXOPENTANENITRILE(PIVALOYLACETONITRILE) PIVALOYLACETONITRILE (4,4-DIMETHYL-3-OXOPENTANENITRILE) (1-CYANOPINACOLONE) Valeronitrile, 4,4-dimethyl-3-oxo 3-Oxo-4,4-dimethylpentanenitrile Pivaloylacetonitrile,97% Pivaloylacetonitrile 97% 4,4-Dimethyl-3-oxovaleronitril Pivaloylacetonitrile> Pivaloylacetonitrile ISO 9001：2015 REACH 4,4-Dimethyl-3-Oxopentanetrile 2-Diethylamino-5-Amino-6-Me pyridine Cyanopinacone/Neovalerylacetonitrile Pivaloylnitrile 4,4-DIMETHYL-3-OXOPENTANENITRILE 59997-51-2 9997-51-2 CH33CCOCH2CN Nitrogen Compounds Organic Building Blocks Cyanides/Nitriles C6 to C7 Building Blocks Agrochemicals Aliphatics ketone BUILDING BLOCKS