ChemicalBook > CAS DataBase List > 4-CHLORO-3-CYANOMETHYL-BENZOIC ACID METHYL ESTER

4-CHLORO-3-CYANOMETHYL-BENZOIC ACID METHYL ESTER

Product Name
4-CHLORO-3-CYANOMETHYL-BENZOIC ACID METHYL ESTER
CAS No.
872091-83-3
Chemical Name
4-CHLORO-3-CYANOMETHYL-BENZOIC ACID METHYL ESTER
Synonyms
3-Cyanomethyl-4-chlorobenzoic acid methyl ester;4-CHLORO-3-CYANOMETHYL-BENZOIC ACID METHYL ESTER;Methyl 4-chloro-3-(cyanomethyl)benzoate - [M71997];3-Cyanomethyl-4-Chorobenzoic Acid Methyl Ester (en);Benzoic acid, 4-chloro-3-(cyanomethyl)-, methyl ester
CBNumber
CB11092669
Molecular Formula
C10H8ClNO2
Formula Weight
209.63
MOL File
872091-83-3.mol
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4-CHLORO-3-CYANOMETHYL-BENZOIC ACID METHYL ESTER Property

Density 
1.266
storage temp. 
Inert atmosphere,Room Temperature
Appearance
White to off-white Solid
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Safety

HS Code 
2916399090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

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N-Bromosuccinimide Price

TRC
Product number
M342988
Product name
Methyl4-chloro-3-(cyanomethyl)benzoate
Packaging
100mg
Price
$175
Updated
2021/12/16
ChemScene
Product number
CS-0045070
Product name
Methyl4-chloro-3-(cyanomethyl)benzoate
Packaging
1g
Price
$37
Updated
2021/12/16
ChemScene
Product number
CS-0045070
Product name
Methyl4-chloro-3-(cyanomethyl)benzoate
Packaging
5g
Price
$79
Updated
2021/12/16
AK Scientific
Product number
X2842
Product name
Methyl4-chloro-3-(cyanomethyl)benzoate
Packaging
1g
Price
$104
Updated
2021/12/16
SynQuest Laboratories
Product number
4637-5-Z7
Product name
Methyl 4-chloro-3-(cyanomethyl)benzoate
Purity
98%
Packaging
5G
Price
$109
Updated
2021/12/16
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4-CHLORO-3-CYANOMETHYL-BENZOIC ACID METHYL ESTER Chemical Properties,Usage,Production

Synthesis

220464-68-6

7677-24-9

872091-83-3

Step 2: Synthesis of intermediate 2 A mixture of Intermediate 1 (methyl 3-(bromomethyl)-4-chlorobenzoate, 1.00 g, 3.80 mmol), trimethylcyanosilane (TMSCN, 0.56 g, 5.69 mmol), and potassium carbonate (K2CO3, 786 mg, 5.69 mmol) in acetonitrile (CH3CN, 50 mL) was heated to reflux for 16 hours. After completion of the reaction, the mixture was cooled to room temperature, filtered to remove insoluble material and the filtrate was concentrated. The resulting crude product was purified by silica gel column chromatography using a hexane solution of 5-10% ethyl acetate (EtOAc) as eluent to afford the target product methyl 3-cyanomethyl-4-chlorobenzoate (590 mg, 75% yield) as a white solid. 1H NMR (400 MHz, CDCl3) δ: 8.18 (d, 1H), 7.99 (dd, 1H), 7.52 (d, 1H), 3.94 (s, 3H), 3.88 (s, 2H).

References

[1] Patent: WO2014/144737, 2014, A1. Location in patent: Paragraph 00777

4-CHLORO-3-CYANOMETHYL-BENZOIC ACID METHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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4-CHLORO-3-CYANOMETHYL-BENZOIC ACID METHYL ESTER Suppliers

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872091-83-3, 4-CHLORO-3-CYANOMETHYL-BENZOIC ACID METHYL ESTERRelated Search:

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  • 4-CHLORO-3-CYANOMETHYL-BENZOIC ACID METHYL ESTER
  • 3-Cyanomethyl-4-chlorobenzoic acid methyl ester
  • 3-Cyanomethyl-4-Chorobenzoic Acid Methyl Ester (en)
  • Benzoic acid, 4-chloro-3-(cyanomethyl)-, methyl ester
  • Methyl 4-chloro-3-(cyanomethyl)benzoate - [M71997]
  • 872091-83-3