methyl 4-nitrobutyrate

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Names

[ CAS No. ]:
13013-02-0

[ Name ]:
methyl 4-nitrobutyrate

[Synonym ]:
4-nitrobutanoic acid methyl ester
4-Nitrobutyric Acid Methyl Ester
MFCD00007408
EINECS 235-866-0
Methyl 4-nitrobutyrate
BUTYRIC ACID,4-NITRO-,METHYL ESTER
Butanoic acid,4-nitro-,methyl ester
methyl 4-nitro-1-butanoate

Chemical & Physical Properties

[ Density]:
1.155g/cm3

[ Boiling Point ]:
238.5ºC at 760mmHg

[ Molecular Formula ]:
C5H9NO4

[ Molecular Weight ]:
147.12900

[ Flash Point ]:
107.3ºC

[ Exact Mass ]:
147.05300

[ PSA ]:
72.12000

[ LogP ]:
0.73950

[ Vapour Pressure ]:
0.0422mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.438(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET5950970
CHEMICAL NAME :
Butyric acid, 4-nitro-, methyl ester
CAS REGISTRY NUMBER :
13013-02-0
BEILSTEIN REFERENCE NO. :
1766154
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H9-N-O4
MOLECULAR WEIGHT :
147.15

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 30,56,1967

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ Safety Phrases ]:
23-24/25

[ WGK Germany ]:
3

[ RTECS ]:
ET5950970

[ HS Code ]:
2915900090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • nitromethane
  • acrylic acid methyl ester
  • Methyl 3-bromopropanoate

DownStream

  • 4-Methoxy-4-oxobutanoic acid
  • Butanoic acid,4,4-dimethoxy-,methyl ester
  • 2-Pyrrolidinone
  • Methyl 4-oxobutanoate
  • Dimethyl succinate
  • 4-nitrobutyramide
  • H-GABA-Ome.HCl
  • γ-Nitrobutyric acid
  • 4-Aminobutanoic acid
  • methyl 4-oxohexanoate

Customs

[ HS Code ]: 2915900090

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Articles

Enantioselective Henry addition of methyl 4-nitrobutyrate to aldehydes. Chiral building blocks for 2-pyrrolidinones and other derivatives.

Org. Lett. 12(13) , 3058-61, (2010)

A catalytic highly enantioselective Henry addition of methyl 4-nitrobutyrate to aldehydes using a Cu(II)-amino pyridine complex as catalyst is described. The products resulting from this reaction cons...


More Articles

Related Compounds

  • methyl 4-nitrobutyrate
  • methyl 4-(hydroxymethyl)-1H-pyrrole-2-carboxylate
  • methyl 4,5-dipropyl-1H-pyrrole-2-carboxylate
  • methyl 4-octoxybenzenecarbodithioate
  • METHYL 4-(4-(3-(PYRIDIN-2-YL)-1H-PYRAZOL-4-YL)PYRIDIN-2-YL)BENZOATE
  • methyl 4-hexyl-5-thiophen-2-ylthiophene-2-carboxylate