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Methyl 2-bromomethyl-4-cyanobenzoate

Product Name
Methyl 2-bromomethyl-4-cyanobenzoate
CAS No.
165111-46-6
Chemical Name
Methyl 2-bromomethyl-4-cyanobenzoate
Synonyms
Methyl 2-bromomethyl-4-cyanobenzoate;Benzoic acid, 2-(bromomethyl)-4-cyano-, methyl ester
CBNumber
CB7947900
Molecular Formula
C10H8BrNO2
Formula Weight
254.08
MOL File
Mol file
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Methyl 2-bromomethyl-4-cyanobenzoate Property

Boiling point:
380.5±37.0 °C(Predicted)
Density 
1.53±0.1 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
Appearance
White to off-white Solid
InChI
InChI=1S/C10H8BrNO2/c1-14-10(13)9-3-2-7(6-12)4-8(9)5-11/h2-4H,5H2,1H3
InChIKey
QMLVCVLSZNSKJM-UHFFFAOYSA-N
SMILES
C(OC)(=O)C1=CC=C(C#N)C=C1CBr
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Safety

HS Code 
2916399090
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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

SynQuest Laboratories
Product number
4637-9-Y3
Product name
Methyl 2-bromomethyl-4-cyanobenzoate
Purity
95.0%
Packaging
1g
Price
$116
Updated
2021/12/16
AK Scientific
Product number
8384AA
Product name
Methyl2-(bromomethyl)-4-cyanobenzoate
Packaging
1g
Price
$195
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
HCH0007552
Product name
METHYL 2-BROMOMETHYL-4-CYANOBENZOATE
Purity
95.00%
Packaging
5G
Price
$1994.98
Updated
2021/12/16
Crysdot
Product number
CD12135557
Product name
Methyl2-(bromomethyl)-4-cyanobenzoate
Purity
95+%
Packaging
5g
Price
$380
Updated
2021/12/16
Ambeed
Product number
A152862
Product name
Methyl2-(bromomethyl)-4-cyanobenzoate
Purity
95%
Packaging
5g
Price
$462
Updated
2021/12/16
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Methyl 2-bromomethyl-4-cyanobenzoate Chemical Properties,Usage,Production

Synthesis

103261-67-2

165111-46-6

General procedure for the synthesis of methyl 2-bromomethyl-4-cyanobenzoate from methyl 4-cyano-2-methylbenzoate: Methyl 4-cyano-2-methylbenzoate (4.0 g, 22.83 mmol) was dissolved in carbon tetrachloride (150 mL) and N-bromosuccinimide (NBS, 4.88 g, 27.4 mmol) was added to form a suspension. The suspension was heated at 80 °C for 5 min. Subsequently, azobisisobutyronitrile (AIBN, 1.88 g, 11.42 mmol) was added and stirred continuously at 80 °C for 16 hours. After completion of the reaction, the mixture was cooled to room temperature and filtered. The filtrate was concentrated to give the crude product. Purification by silica gel column chromatography using a solvent mixture of ethyl acetate (EA) and petroleum ether (gradient elution, 0% to 5% EA) resulted in methyl 2-bromomethyl-4-cyanobenzoate (3.84 g, 66.9% yield) as a white solid.

References

[1] Patent: WO2017/201069, 2017, A1. Location in patent: Paragraph 0510
[2] Patent: US5591752, 1997, A
[3] Patent: US2009/82368, 2009, A1. Location in patent: Page/Page column 41-42
[4] Patent: WO2013/79452, 2013, A1. Location in patent: Page/Page column 165
[5] Patent: US2014/45855, 2014, A1. Location in patent: Paragraph 0552

Methyl 2-bromomethyl-4-cyanobenzoate Preparation Products And Raw materials

Raw materials

Preparation Products

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Methyl 2-bromomethyl-4-cyanobenzoate Suppliers

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ShangHai Wisacheam Pharmaceutical Co., Ltd.
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SuZhou ShiYa Biopharmaceuticals, Inc.
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View Lastest Price from Methyl 2-bromomethyl-4-cyanobenzoate manufacturers

Shaanxi Dideu New Materials Co. Ltd
Product
Methyl 2-bromomethyl-4-cyanobenzoate 165111-46-6
Price
US $0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1000kg
Release date
2025-09-29

165111-46-6, Methyl 2-bromomethyl-4-cyanobenzoateRelated Search:


  • Methyl 2-bromomethyl-4-cyanobenzoate
  • Benzoic acid, 2-(bromomethyl)-4-cyano-, methyl ester
  • 165111-46-6