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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

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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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