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Ethyl 7-bromoheptanoate

Name: Ethyl 7-bromoheptanoate
Brand: ALDRICH

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About This Item

Linear Formula:

Br(CH₂)₆CO₂C₂H₅

CAS Number:

29823-18-5

Molecular Weight:

237.13

NACRES:

NA.22

PubChem Substance ID:

24864513

UNSPSC Code:

12352100

EC Number:

249-883-6

MDL number:

MFCD00037103

Assay:

97%

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Properties

Quality Level

100

assay

97%

refractive index

n20/D 1.459 (lit.)

bp

112 °C/5 mmHg (lit.)

mp

29 °C (lit.)

density

1.217 g/mL at 25 °C (lit.)

functional group

bromo, ester

SMILES string

CCOC(=O)CCCCCCBr

InChI

1S/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3

InChI key

OOBFNDGMAGSNKA-UHFFFAOYSA-N

Description

General description

Ethyl 7-bromoheptanoate is a bromoester. It is used as an alkylating agent for organic compounds. It participates in the synthesis of ω-chain shortened prostaglandins.

Application

Ethyl 7-bromoheptanoate may be used in the following studies:

As a starting material in the synthesis of benzyl 7-iodoheptanoate.
As one of the reactant in the synthesis of diethyl 7,7′-(2,5-diiodo-1,4-phenylene)bis(oxy)diheptanoate.
As one of the reagent in the synthesis of CarnDOD-7C, a carnitine-derived nitrone.
As an alkylating agent in the alkylation of ethyl 3-oxoglutarate to form 2-(6-ethoxycarbonylhexyl)-3-oxoglutarate.
Synthesis of 1-substituted cyclopentadiene by alkylating lithium cyclopentadienide.5

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Synthesis of ω-chain shortened prostaglandins and their six-membered ring analogs.

Naoshima Y, et al.

Agricultural and Biological Chemistry, 48(3), 783-787 (1984)

Oxime amides as a novel zinc binding group in histone deacetylase inhibitors: synthesis, biological activity, and computational evaluation.

Cinzia B Botta et al.

Journal of medicinal chemistry, 54(7), 2165-2182 (2011-03-23)

Several oxime containing molecules, characterized by a SAHA-like structure, were explored to select a potentially new biasing binding element for the zinc in HDAC catalytic site. All compounds were evaluated for their in vitro inhibitory activity against the 11 human

Synthesis of a Prostaglandin Intermediate and Synthesis of Dihydrojasmone and Methyl Dihydrojasmonate.