4-Cyano-3-methylBenzoic acid methyl ester

Base Information

• Chemical Name: 4-Cyano-3-methylBenzoic acid methyl ester
• CAS No.: 25978-68-1
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.187
• Hs Code.: 2926909090
• Mol file: 25978-68-1.mol

Synonyms:benzoic acid, 4-cyano-3-methyl-, methyl ester;Methyl 4-cyano-3-methylbenzoate;LogP

Chemical Property of 4-Cyano-3-methylBenzoic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.000551mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 311.8 °C at 760 mmHg
• Flash Point: 145.2 °C
• PSA: 50.09000
• Density: 1.15 g/cm³
• LogP: 1.65328
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-Cyano-3-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Cyano-3-methylBenzoic acid methyl ester

There total 10 articles about 4-Cyano-3-methylBenzoic acid methyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

zinc(II) cyanide (557-21-1) + 4-Bromo-3-methylbenzoic acid methyl ester (148547-19-7) → methyl 4-cyano-3-methylbenzoate (25978-68-1)

Guidance literature:

1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In N,N-dimethyl-formamide; for 16h;

Reference yield: 86.0%

→ methyl 4-cyano-3-methylbenzoate (25978-68-1)

Guidance literature:

Reference yield: 83.0%

potassiumhexacyanoferrate(II) trihydrate + 4-Bromo-3-methylbenzoic acid methyl ester (148547-19-7) → methyl 4-cyano-3-methylbenzoate (25978-68-1)

Guidance literature:

With sodium carbonate; palladium diacetate; In ISOPROPYLAMIDE; at 120 ℃; for 15h;

upstream raw materials:

methyl iodide

dicyanozinc

4-Bromo-3-methylbenzoic acid methyl ester

methanol

Downstream raw materials:

methyl 4-(aminomethyl)-3-methylbenzoate

methyl 4-carbamothioyl-3-methylbenzoate

4-(2-cyanopropanoyl)-2-methylbenzonitrile

methyl 3-bromomethyl-4-cyanobenzoate

Refernces

• 1、 Song, Ren-Jie,Wu, Ji-Cheng,Liu, Yu,Deng, Guo-Bo,Wu, Cui-Yan,Wei, Wen-Ting,Li, Jin-Heng. "Copper-catalyzed oxidative cyanation of aryl halides with nitriles involving carbon-carbon cleavage". supporting information. p. 2491 - 2496,6. Retrieved 2012/12/11.
• 2、 -. "1,2,4-oxadiazole derivatives and their therapeutic use". Page/Page column 49. . Retrieved 2010/07/08.