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227846

Sigma-Aldrich

Methyl 4-nitrobutyrate

97%

Synonym(s):

4-Nitrobutyric acid methyl ester

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About This Item

Linear Formula:
O2N(CH2)3CO2CH3
CAS Number:
13013-02-0
Molecular Weight:
147.13
Beilstein:
1766154
EC Number:
235-866-0
MDL number:
MFCD00007408
UNSPSC Code:
12352100
PubChem Substance ID:
24853657
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.438 (lit.)

bp

106-110 °C/9 mmHg (lit.)

density

1.149 g/mL at 25 °C (lit.)

functional group

amine
ester
nitro

SMILES string

COC(=O)CCC[N+]([O-])=O

InChI

1S/C5H9NO4/c1-10-5(7)3-2-4-6(8)9/h2-4H2,1H3

InChI key

UBSPKGKFFQKZJB-UHFFFAOYSA-N

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General description

The reaction of methyl 4-nitrobutyrate with aldehydes, following the enantioselective Henry addition, was studied.

Other Notes

Remainder methyl 4-nitrovalerate

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

185.0 °F - closed cup

Flash Point(C)

85 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

227846-5G:
227846-BULK:
227846-1G:
227846-25G:
227846-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
BGBC2958V
BGBB8889
1401289V
0001407979
1401289

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Gonzalo Blay et al.
Organic letters, 12(13), 3058-3061 (2010-06-12)
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 constitute a new, highly versatile family of chiral building blocks as a result of

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