tert-Butyl 2-cyanoacetate

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Names

[ CAS No. ]:
1116-98-9

[ Name ]:
tert-Butyl 2-cyanoacetate

[Synonym ]:
tert-Butyl cyanoacetate
Cyanoacetic Acid tert-Butyl Ester
tert-butyl 2-cyanoacetate
MFCD00001938
2-Methyl-2-propanyl cyanoacetate
tert-Butylcyanacetat
EINECS 214-243-7
Acetic acid, cyano-, 1,1-dimethylethyl ester
Acetic acid, cyano-, tert-butyl ester
Acetic acid, 2-cyano-, 1,1-dimethylethyl ester

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
194.6±8.0 °C at 760 mmHg

[ Melting Point ]:
107-108ºC

[ Molecular Formula ]:
C7H11NO2

[ Molecular Weight ]:
141.168

[ Flash Point ]:
79.0±5.2 °C

[ Exact Mass ]:
141.078979

[ PSA ]:
50.09000

[ LogP ]:
0.76

[ Vapour Pressure ]:
0.4±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.426

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Cyanoacetic acid
  • tert-Butanol
  • 2-Methyl-2-propanyl bromoacetate
  • POTASSIUM CYANIDE
  • Isobutylene
  • tert-Butyl chloroacetate
  • Cyanoacetyl chloride
  • N,N,N-Triethylethanaminium cyanide

DownStream

  • Tert-butyl 2-amino-4,5-dimethylthiophene-3-carboxyla
  • tert-butyl 2-cyanopent-4-enoate
  • tert-Butyl 2-aminothiophene-3-carboxylate
  • 2-Cyano-N-(4-methoxyphenyl)acetamide
  • Benzeneacetonitrile, 2-cyano-4-fluoro- (9CI)
  • 2-(5-Nitropyridin-2-yl)acetonitrile
  • tert-butyl 2,3,3-tricyanoprop-2-enoate
  • Malononitrile
  • Coumarin-3-carbonitrile
  • PYRIDIN-2-YL-ACETIC ACID TERT-BUTYL ESTER

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Modular isoquinoline synthesis using catalytic enolate arylation and in situ functionalization.

Org. Lett. 15(24) , 6190-3, (2013)

A methyl ketone, an aryl bromide, an electrophile, and ammonium chloride were combined in a four-component, three-step, and one-pot coupling procedure to furnish substituted isoquinolines in overall y...

Synthesis of jenamidines A1/A2.

Org. Lett. 7(20) , 4519-22, (2005)

[reaction: see text] Addition of the enolate of tert-butyl acetate to cyanamide methyl ester 17 followed by treatment with LHMDS afforded vinylogous urea 19 in 27% yield. Vinylogous urea 19 was also o...


More Articles

Related Compounds

  • tert-Butyl 2-((tert-butoxycarbonyl)amino)-2-cyanoacetate
  • tert-butyl 2-(6-bromopyridin-2-yl)-2-cyanoacetate
  • tert-butyl 2-(5-chloropyridin-2-yl)-2-cyanoacetate
  • tert-butyl 2-(6-chloropyridin-2-yl)-2-cyanoacetate
  • tert-Butyl 2-(5-bromopyridin-2-yl)-2-cyanoacetate
  • tert-butyl(2-(cyclopent-2-en-1-yl)ethoxy)dimethylsilane
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • [1-(2,6-Difluoro-3-nitrophenyl)cyclopropyl]methanol
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 1-(2-acetamidoethyl)-1H-pyrazole-4-carboxylic acid
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine