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227846

Methyl 4-nitrobutyrate

Name: Methyl 4-nitrobutyrate
Brand: ALDRICH

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

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24853657

EC Number:

235-866-0

Beilstein/REAXYS Number:

1766154

MDL number:

MFCD00007408

Assay:

97%

Form:

liquid

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Properties

Quality Level

200

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

Description

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

10 - Combustible liquids

wgk

WGK 3

flash_point_f

185.0 °F - closed cup

flash_point_c

85 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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

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

Global Trade Item Number

SKU	GTIN
227846-25G	04061836683221
227846-5G	04061836683238