tert-Butyl acetoacetate

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Names

[ CAS No. ]:
1694-31-1

[ Name ]:
tert-Butyl acetoacetate

[Synonym ]:
Acetoacetic acid tert-butyl ester
2-Methyl-2-propanyl 3-oxobutanoate
Acetoacetic acid, tert-butyl ester
MFCD00008811
tert-Butyl 3-oxobutyrate
tert-Butyl acetoacetate
tert-butyl 3-oxobutanoate
Butanoic acid, 3-oxo-, 1,1-dimethylethyl ester
T-BUTYL 3-OXOBUTANOATE
EINECS 216-904-5
t-Butyl acetoacetate

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
184.0±8.0 °C at 760 mmHg

[ Melting Point ]:
-38 °C

[ Molecular Formula ]:
C8H14O3

[ Molecular Weight ]:
158.195

[ Flash Point ]:
60.6±0.0 °C

[ Exact Mass ]:
158.094299

[ PSA ]:
43.37000

[ LogP ]:
1.41

[ Vapour Pressure ]:
0.7±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.421

[ Storage condition ]:
?20°C

MSDS

Click to get detail MSDS

Safety Information

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

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
3272

[ WGK Germany ]:
1

[ Packaging Group ]:
III

[ Hazard Class ]:
3.2

[ HS Code ]:
2918300090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl acetoacetate
  • tert-Butanol
  • Methyl acetoacetate
  • tert-Butyl chloroacetate
  • carbon monoxide
  • methyl iodide
  • tert-Butyl acetate
  • Ethyl (3R)-4-cyano-3-hydroxybutanoate
  • 2,2,6-Trimethyl-4H-1,3-dioxin-4-one
  • N-Acetoxydiethylamine

DownStream

  • N-butyl-3-oxobutanamide
  • ditert-butyl 2-acetylpentanedioate
  • Methyl (R)-(-)-3-hydroxybutyrate
  • tert-Butyl(R)-3-hydroxybutanoate
  • oxazolidinone
  • t-Butyl acetoacetate trimethylsilyl enol ether
  • di-tert-butyl 2 6-dimethyl-1 4-dihydrop&
  • Benzyl acetylacetate
  • 3-Oxo-N-[4-(trifluoromethyl)phenyl]butanamide
  • tert-Butyl (E)-7-[3'-(4''-fluorophenyl)-1'-methylethyl-indol-2'-yl]-3-hydroxy-5-oxo-6-heptenoate

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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Related Compounds

  • sodio-tert-butyl acetoacetate
  • tert-butyl 2-chloro-3-oxobutanoate
  • tert-butyl 2-(2-hydroxyphenyl)sulfinamoylacetate
  • tert-butyl N-(2-fluoro-3,5-dimethoxyphenyl)carbamate
  • tert-butyl (6R,7S,8S,Z)-7-hydroxy-3-methoxy-4,4,6,8-tetramethyl-5-oxoundeca-2,10-dienoate
  • tert-butyl-[2-[chloro(dimethyl)stannyl]ethyl]-phenylphosphane
  • 7-Bromo-5-formyl-2,3-dimethoxy-quinoxaline
  • Methyl 3-(6-aminopyridazin-3-yl)prop-2-ynoate
  • N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-3,4,5-trimethoxybenzamide
  • methyl 3-{5H,6H,7H-cyclopenta[c]pyridazin-3-yl}prop-2-ynoate
  • N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-3-fluorobenzamide
  • Methyl 3-(6-cyclopropylpyridazin-3-yl)prop-2-ynoate
  • N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-4-fluorobenzamide
  • Methyl 6-(3-methoxy-3-oxoprop-1-yn-1-yl)pyridazine-3-carboxylate
  • 3-chloro-N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)benzamide
  • Methyl 3-(6-tert-butylpyridazin-3-yl)prop-2-ynoate
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