ChemicalBook > CAS DataBase List > Methyl 4-(cyanomethyl)benzoate

Methyl 4-(cyanomethyl)benzoate

Product Name: Methyl 4-(cyanomethyl)benzoate
CAS No.: 76469-88-0
Chemical Name: Methyl 4-(cyanomethyl)benzoate
Synonyms: 95.0%,(GC);Cholesterol Laurate >Fampridine Impurity 210;Methyl α-Cyano-p-toluate;5-Bromo-2-fluoroaniline >METHYL 4-(CYANOMETHYL)BENZOATE;Methyl p-(CyanoMethyl)benzoate;4-(4-Chlorobenzyl)pyridine >2-Bromoethyl Phenyl Sulfide >Methyl4-(Cyanomethyl)benzoate>
CBNumber: CB3115826
Molecular Formula: C10H9NO2
Formula Weight: 175.18
MOL File: 76469-88-0.mol

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Methyl 4-(cyanomethyl)benzoate Property

Melting point:: 55-58 °C(lit.)
Boiling point:: 110 °C0.2 mm Hg(lit.)
Density: 1.141±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
color: White to Gray to Brown
InChI: InChI=1S/C10H9NO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6H2,1H3
InChIKey: XRZGMNGGCZTNGE-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(CC#N)C=C1
CAS DataBase Reference: 76469-88-0(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36
WGK Germany: 3
HS Code: 2926907090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 655597
Product name: Methyl 4-(cyanomethyl)benzoate
Purity: 96%
Packaging: 5g
Price: $60.3
Updated: 2025/07/31

Sigma-Aldrich

Product number: 655597
Product name: Methyl 4-(cyanomethyl)benzoate
Purity: 96%
Packaging: 25g
Price: $266
Updated: 2025/07/31

TCI Chemical

Product number: M2341
Product name: Methyl 4-(Cyanomethyl)benzoate
Purity: >95.0%(GC)
Packaging: 5g
Price: $85
Updated: 2025/07/31

TCI Chemical

Product number: M2341
Product name: Methyl 4-(Cyanomethyl)benzoate
Purity: >95.0%(GC)
Packaging: 25g
Price: $257
Updated: 2025/07/31

TRC

Product number: M294750
Product name: Methyl 4-(cyanomethyl)benzoate
Packaging: 10g
Price: $195
Updated: 2021/12/16

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Methyl 4-(cyanomethyl)benzoate Chemical Properties,Usage,Production

Uses

The key intermediate of Fexofenadine (F322490).

Synthesis

6908-41-4

151-50-8

76469-88-0

Methyl 4-(hydroxymethyl)benzoate (1.00 g) was dissolved in dichloromethane (20 mL). To this solution was added triethylamine (0.9 mL), followed by the slow dropwise addition of a dichloromethane solution of methanesulfonyl chloride (0.70 g) (dichloromethane: 5 mL) under ice bath cooling. The reaction mixture was stirred for 15 h at room temperature, then diluted with dichloromethane, washed sequentially with water and dried with anhydrous sodium sulfate. The solvent was removed by distillation under reduced pressure and the resulting residue was dissolved in acetonitrile (12 mL). Potassium cyanide (0.80 g) and 18-crown-6 (0.16 g) were added and the mixture was stirred at room temperature for 40 hours. Upon completion of the reaction, the reaction mixture was concentrated under reduced pressure and the residue was diluted with dichloromethane, washed with water and dried over anhydrous sodium sulfate. The solvent was removed by distillation again under reduced pressure and the residue was purified by silica gel column chromatography (eluent: dichloromethane) to give a colorless crystalline product (0.91 g, 86% yield). A portion of the product was recrystallized from a solvent mixture of hexane and ethyl acetate to give colorless crystals. The product was characterized by 1H-NMR (CDCl3): δ 3.82 (2H, s), 3.93 (3H, s), 7.42 (2H, d, J = 8.3 Hz), 8.06 (2H, d, J = 8.3 Hz).

References

[1] Patent: EP1577302, 2005, A1. Location in patent: Page/Page column 117

Methyl 4-(cyanomethyl)benzoate Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from Methyl 4-(cyanomethyl)benzoate manufacturers

Hebei Chuanghai Biotechnology Co., Ltd

Product: Methyl 4-(cyanomethyl)benzoate 76469-88-0
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 20 mt
Release date: 2024-11-20

Honest Joy Holdings Limited

Product: Methyl4-(cyanomethyl)benzoate 76469-88-0
Price: US $0.00/KG
Min. Order: 1KG
Purity: 98.4%
Supply Ability: 100 tons
Release date: 2022-01-14

Career Henan Chemical Co

Product: Methyl 4-(cyanomethyl)benzoate 76469-88-0
Price: US $8.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 100KG
Release date: 2018-12-15

76469-88-0, Methyl 4-(cyanomethyl)benzoateRelated Search:

Denatonium Benzoate Anhydrous o-Toluic acid Methyl salicylate Kresoxim-methyl Methanol Methyl benzoate Methyl acrylate Benzyl benzoate p-Toluic acid Methyl 4-(bromomethyl)benzoate Methyl cyanoacetate Methyl 2-bromobenzoate m-Toluic acid Methylparaben Tribenuron methyl Sodium benzoate Methyl 4-methylbenzoate Emamectin benzoate

4-CYANOMETHYLBENZOIC ACID METHYL ESTER

[p-(Methoxycarbonyl)phenyl]acetonitrile

Methyl p-(CyanoMethyl)benzoate

Methyl α-Cyano-p-toluate

α-Cyano-p-toluic Acid Methyl Ester

95.0%,(GC)

METHYL 4-(CYANOMETHYL)BENZOATE

4-(Methoxycarbonyl)phenylacetonitrile, 4-(Methoxycarbonyl)benzyl cyanide

Methyl 4-(cyanomethyl)benzoate 97+%

4-(Nitrilemethyl)benzoic acid methyl ester

cis-3-Hexen-1-yl2-Ethylbutyrate&gt

4-Chloro-α-methylbenzyl Alcohol &gt

Cholesterol Laurate &gt

4-(4-Chlorobenzyl)pyridine &gt

2-Bromoethyl Phenyl Sulfide &gt

Methyl4-(Cyanomethyl)benzoate&gt

Vinylbenzyl Cyanide (m- and p- mixture)(stabilized with TBC)&gt

4-(4-Methoxybenzyloxy)-1,3-butanediol&gt

5-Bromo-2-fluoroaniline &gt

Benzoic acid, 4-(cyanomethyl)-, methyl ester

Benzoic acid, 4-(cyanomethyl)-, methyl ester (9CI, ACI)

4-(cyanomethyl)-Benzoic acid methyl ester (9CI ACI)

Fampridine Impurity 210

76469-88-0

CH3OOCC6H4CH2CN

Aromatic Esters

C10 to C11

Carbonyl Compounds

Esters

Aromatics

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C10 to C11

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