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245631

Sigma-Aldrich

Benzyl bromoacetate

96%

Synonym(s):

Bromoacetic acid benzyl ester

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About This Item

Linear Formula:
BrCH2COOCH2C6H5
CAS Number:
5437-45-6
Molecular Weight:
229.07
Beilstein:
973658
EC Number:
226-611-4
MDL number:
MFCD00000190
UNSPSC Code:
12352100
PubChem Substance ID:
24854747
NACRES:
NA.22

Assay

96%

form

liquid

refractive index

n20/D 1.544 (lit.)

bp

166-170 °C/22 mmHg (lit.)

density

1.446 g/mL at 25 °C (lit.)

functional group

bromo

SMILES string

BrCC(=O)OCc1ccccc1

InChI

1S/C9H9BrO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2

InChI key

JHVLLYQQQYIWKX-UHFFFAOYSA-N

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Application

Benzyl bromoacetate was used in the alkylation of (-)-2,3-O-isopropylidene-D-threitol that afforded lipopeptide, 2-[(4R,5R)-5-({[(9H-fluoren-9-yl)methoxy]carbonylaminomethyl}-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

245631-250G:
245631-VAR:
245631-10KG:
245631-BULK:
245631-50G:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG9896
BCCF8340
BCBT0822
BCBR5080V
BCBR3494V

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Toru Masaka et al.
Chemical & pharmaceutical bulletin, 61(11), 1184-1187 (2013-08-28)
A new component for the solid phase peptide synthesis of lipopeptide, 2-[(4R,5R)-5-({[(9H-fluoren-9-yl)methoxy]carbonylaminomethyl}-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid (2), was designed and synthesized from (-)-2,3-O-isopropylidene-D-threitol (3) in 4 steps. The key step was the selective alkylation of 3 with benzyl bromoacetate in the presence of
Michael Kahnt et al.
Molecules (Basel, Switzerland), 24(12) (2019-06-20)
In this study, we report the synthesis of several amine-spacered conjugates of ursolic acid (UA) and 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA). Thus, a total of 11 UA-DOTA conjugates were prepared holding various oligo-methylene diamine spacers as well as different substituents at the

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