Pivaloylacetonitrile

Pivaloylacetonitrile Basic information

Product Name:	Pivaloylacetonitrile
Synonyms:	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;Pivaloylacetonitrile ,98%;4,4-diMethyl-3-O E nitrile;Pivaloylacetonitrile, 1-Cyano-3,3-dimethylbutan-2-one
CAS:	59997-51-2
MF:	C7H11NO
MW:	125.17
EINECS:	262-017-1
Product Categories:	Agrochemicals;Aliphatics;ketone;BUILDING BLOCKS
Mol File:	59997-51-2.mol

Pivaloylacetonitrile Chemical 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
form	Crystals or Crystalline Powder
pka	10.25±0.10(Predicted)
color	White to cream
Water Solubility	Insoluble in water.
BRN	1746674
CAS DataBase Reference	59997-51-2(CAS DataBase Reference)
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 Information

Hazard Codes	T
Risk Statements	25
Safety Statements	36/37/39-45
RIDADR	UN 3439 6.1/PG 3
WGK Germany	3
RTECS	SA2991000
F	8
TSCA	Yes
HazardClass	6.1
PackingGroup	III
HS Code	29269090

MSDS Information

Provider	Language
4,4-Dimethyl-3-oxovaleronitrile	English
SigmaAldrich	English
ACROS	English
ALFA	English

Pivaloylacetonitrile Usage And Synthesis

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.

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-->1-Chloropinacolone-->Acetonitrile-->Pinacolone
Preparation Products	3-TERT-BUTYLISOXAZOL-5-AMINE-->5-AMINO-3-TERT-BUTYL-1-METHYLPYRAZOLE

Dacthal 3-BENZO[3,4-D]1,3-DIOXOLEN-5-YL-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE 3-(4-(DIMETHYLAMINO)PHENYL)-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE 2-(2,2-DIMETHYLPROPANOYL)-3-(4-HYDROXYPHENYL)PROP-2-ENENITRILE 2-Chloro-3-cyanopyridine 2-(2,2-DIMETHYLPROPANOYL)-3-(4-FLUOROPHENYL)PROP-2-ENENITRILE 2-(2,2-DIMETHYLPROPANOYL)-3-(3-PHENOXYPHENYL)PROP-2-ENENITRILE Benzeneacetonitrile 2-(1,3-DIOXOINDAN-2-YLIDENE)-4,4-DIMETHYL-3-OXOPENTANENITRILE 3-((4-(2-AZA-2-METHOXY-1-METHYLVINYL)PHENYL)AMINO)-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE 2-(2,2-DIMETHYLPROPANOYL)-3-(4-(TRIFLUOROMETHOXY)PHENYL)PROP-2-ENENITRILE Pivaloylacetonitrile Dimethyl sebacate 2-(2,2-DIMETHYLPROPANOYL)-3-(4-METHOXYPHENYL)PROP-2-ENENITRILE Ethyl N-cyanoethanimideate Sodium cyanoborohydride Iminodiacetonitrile ETHYL 2-CYANOACRYLATE

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Pivaloylacetonitrile

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