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Methyl 3-(cyanomethyl)benzoate

CAS No.
68432-92-8
Chemical Name:
Methyl 3-(cyanomethyl)benzoate
Synonyms
METHYL 3-(CYANOMETHYL) BENZOATE;Famoxadone Impurity 13;Methyl m-(cyanomethyl)benzoate;3-(Cyanomethyl)benzoate methyl ester;3-CYANOMETHYLBENZOIC ACID METHYL ESTER;Benzoicacid, 3-(cyanomethyl)-, methyl ester;high quality 3-CYANOMETHYLBENZOIC ACID METHYL ESTER
CBNumber:
CB1757286
Molecular Formula:
C10H9NO2
Molecular Weight:
175.18
MDL Number:
MFCD07783720
MOL File:
68432-92-8.mol
Last updated:2024-07-12 14:38:18

Methyl 3-(cyanomethyl)benzoate Properties

Boiling point 314.1±25.0 °C(Predicted)
Density 1.141±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HazardClass  IRRITANT
HS Code  2926907090

Methyl 3-(cyanomethyl)benzoate price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TRC M338090 Methyl3-(cyanomethyl)benzoate 68432-92-8 1g $75 2021-12-16 Buy
TRC M338090 Methyl3-(cyanomethyl)benzoate 68432-92-8 250mg $55 2021-12-16 Buy
Biosynth Carbosynth FC70223 3-Cyanomethylbenzoic acid methyl ester 68432-92-8 100g $60 2021-12-16 Buy
American Custom Chemicals Corporation API0005061 METHYL 3-(CYANOMETHYL)BENZOATE 95.00% 68432-92-8 25G $2177.18 2021-12-16 Buy
Biosynth Carbosynth FC70223 3-Cyanomethylbenzoic acid methyl ester 68432-92-8 1kg $300 2021-12-16 Buy
Product number Packaging Price Buy
M338090 1g $75 Buy
M338090 250mg $55 Buy
FC70223 100g $60 Buy
API0005061 25G $2177.18 Buy
FC70223 1kg $300 Buy

Methyl 3-(cyanomethyl)benzoate Chemical Properties,Uses,Production

Uses

Methyl 3-(cyanomethyl)benzoate is used as an intermediate in organic synthesis for the preparation of other compounds such as 3-(cyanomethyl)benzoic acid.

Synthesis

Methyl 3-(cyanomethyl)benzoate is synthesised using Methyl 3-(bromomethyl)benzoate as raw material by chemical reaction. The specific synthesis steps are as follows:
(i) To a solution of methyl 3-bromobenzoate (10.0 g, 44 mmol) in acetonitrile (100 mL) were added potassium cyanide (5.7 g, 87 mmol) and 18-crown-6 (1.0 g), and the mixture was stirred at room temperature for 3 days. The reaction mixture was filtered, and the solvent was evaporated under reduced pressure. The residue was purified by silica gel column chromatography (ethyl acetate/hexane=5/95-->30/70), and the fraction containing the object product was concentrated under reduced pressure to give the title compound (7.0 g, 91percent) as a colorless oil. 1H-NMR (DMSO-d6, 300 MHz) δ 3.88 (3H, s), 4.17 (2H, s), 7.57 (1H, t, J = 7.6 Hz), 7.61 - 7.69 (1H, m), 7.88 - 7.95 (1H, m), 7.97 (1H, br s).
Methyl 3-(cyanomethyl)benzoate synthesis

Methyl 3-(cyanomethyl)benzoate Preparation Products And Raw materials

Raw materials

Preparation Products

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3-CYANOMETHYLBENZOIC ACID METHYL ESTER Methyl m-(cyanomethyl)benzoate Benzoicacid, 3-(cyanomethyl)-, methyl ester high quality 3-CYANOMETHYLBENZOIC ACID METHYL ESTER METHYL 3-(CYANOMETHYL) BENZOATE 3-(Cyanomethyl)benzoate methyl ester Famoxadone Impurity 13 68432-92-8 68432-98-8 Aromatic Esters