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Sigma-Aldrich

Ethyl 7-bromoheptanoate

97%

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About This Item

Linear Formula:
Br(CH2)6CO2C2H5
CAS Number:
29823-18-5
Molecular Weight:
237.13
EC Number:
249-883-6
MDL number:
MFCD00037103
UNSPSC Code:
12352100
PubChem Substance ID:
24864513
NACRES:
NA.22

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

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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

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCD9461
MKBT5817V
MKBF2484V
MKBG1567V
MKBF2484

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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 ω-chain shortened prostaglandins and their six-membered ring analogs.
Naoshima Y, et al.
Agricultural and Biological Chemistry, 48(3), 783-787 (1984)
Synthesis of a Prostaglandin Intermediate and Synthesis of Dihydrojasmone and Methyl Dihydrojasmonate.
Naoshima Y, et al.
Agricultural and Biological Chemistry, 43(8), 1765-1768 (1979)
Siham El Fangour et al.
Age (Dordrecht, Netherlands), 31(4), 269-276 (2009-05-30)
Oxidative damage from reactive oxygen species (ROS) and the carbon-centred radicals arising from them is important to the process of aging, and age-related diseases are generally caused, exacerbated or mediated by oxidative stress. Nitrones can act as spin traps to
David J Hart
Organic Synthesis via Examination of Selected Natural Products, 99-99 null
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