Methyl 4-nitrobutyrate

Name: Methyl 4-nitrobutyrate
Brand: ALDRICH
Price: 162 USD

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

Key Documents

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InChI key

UBSPKGKFFQKZJB-UHFFFAOYSA-N

InChI

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

SMILES string

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

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

Quality Level

200

Related Categories

Chemical Building Blocks

Organic Building Blocks

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1 of 4

This Item	218456	49661	544302
Sigma-Aldrich 227846 Methyl 4-nitrobutyrate	Sigma-Aldrich 218456 Ethyl 3-methyl-2-oxobutyrate	Sigma-Aldrich 49661 Methyl 4-pentenoate	Sigma-Aldrich 544302 Methyl 4-acetylbenzoate
assay 97%	assay 97%	assay ≥95.0% (GC)	assay 98%
bp 106-110 °C/9 mmHg (lit.)	bp 62 °C/11 mmHg (lit.)	bp -	bp -
density 1.149 g/mL at 25 °C (lit.)	density 0.989 g/mL at 25 °C (lit.)	density -	density -
form liquid	form -	form -	form -
refractive index n20/D 1.438 (lit.)	refractive index n20/D 1.410 (lit.)	refractive index n20/D 1.415	refractive index -
functional group amine	functional group ester, ketone	functional group allyl, ester	functional group ester, ketone

General description

The reaction of methyl 4-nitrobutyrate with aldehydes, following the enantioselective Henry addition, was studied[1].

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

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Methyl 4-nitrobutyrate