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16602

Sigma-Aldrich

Methyl 2-bromohexanoate

≥99.0% (GC)

Synonym(s):

Methyl 2-bromocaproate

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About This Item

Linear Formula:
CH3(CH2)3CHBrCOOCH3
CAS Number:
5445-19-2
Molecular Weight:
209.08
Beilstein/REAXYS Number:
1722052
EC Number:
226-643-9
MDL number:
MFCD00045038
UNSPSC Code:
12352100
PubChem Substance ID:
57647581
NACRES:
NA.22

assay

≥99.0% (GC)

refractive index

n20/D 1.455

density

1.289 g/mL at 20 °C (lit.)

functional group

bromo
ester

SMILES string

CCCCC(Br)C(=O)OC

InChI

1S/C7H13BrO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3

InChI key

YGLPDRIMFIXNBI-UHFFFAOYSA-N

General description

Methyl 2-bromohexanoate undergoes addition reaction with methyl-10-undecenoate to yield lactone and dimethyl-2-butyltridecandioate.

Application

Methyl 2-bromohexanoate was used in the synthesis of 2-butyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one.

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

156.2 °F - closed cup

flash_point_c

69 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Preparation of 2H-Pyrido [3, 2-b]-l,4-oxazin-3 (4H)-ones and of the Corresponding Dihydropyridooxazines.
Clauson-Kaas NIELS, et al.
Acta Chemica Scandinavica, 23(7), 2322-2324 (1969)
Radical Additions of Alkyl 2-Haloalkanoates and 2-Haloalkanenitriles to Alkenes Initiated by Electron Transfer from Copper in Solvent-Free Systems.
Metzger JO, et al.
European Journal of Organic Chemistry, 1997(11), 2303-2313 (1997)

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