4-CYANO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER

Base Information

• Chemical Name: 4-CYANO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER
• CAS No.: 1001055-67-9
• Molecular Formula: C₁₁H₁₁NO₂
• Molecular Weight: 189.214
• Mol file: 1001055-67-9.mol

Synonyms:4-CYANO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER;QC-5500;

Chemical Property of 4-CYANO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER

Chemical Property:

• PSA: 50.09000
• LogP: 1.96168

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-cyano-3,5-dimethylbenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-CYANO-3,5-DIMETHYL-BENZOIC ACID METHYL ESTER

There total 2 articles about 4-CYANO-3,5-DIMETHYL-BENZOIC 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: 48.0%

zinc(II) cyanide (557-21-1) + methyl 4-iodo-3-methylbenzoate (5471-81-8) + methyl p-toluene sulfonate (80-48-8) → methyl 4-cyano-3,5-dimethylbenzoate (1001055-67-9)

Guidance literature:

With 5-norbornene-2-carbonitrile; potassium acetate; palladium diacetate; DavePhos; In 1,2-dimethoxyethane; at 80 ℃; for 15h; Inert atmosphere;

DOI:10.1021/jacs.9b07857

Reference yield:

4-bromo-3,5-dimethylbenzoic acid methyl ester (432022-88-3) + copper(I) cyanide (544-92-3) → methyl 4-cyano-3,5-dimethylbenzoate (1001055-67-9)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

DOI:10.1016/j.bmcl.2007.10.063

Reference yield:

methyl 4-cyano-3,5-dimethylbenzoate (1001055-67-9) → C10H11NO (1378861-92-7)

Guidance literature:

With Li[H₃B-pyrrolidino]; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2007.10.063

upstream raw materials:

4-bromo-3,5-dimethylbenzoic acid methyl ester

copper(I) cyanide

zinc(II) cyanide

methyl 4-iodo-3-methylbenzoate

Downstream raw materials:

C₁₀H₁₁NO

Refernces

• 1、 Corbett,Dirico,Song,Boscoe,Doran,Boyer,Qiu,Ammirati,VanVolkenburg,McPherson,Parker,Cox. "Design and synthesis of potent amido- and benzyl-substituted cis-3-amino-4-(2-cyanopyrrolidide)pyrrolidinyl DPP-IV inhibitors". . p. 6707 - 6713. Retrieved 2008/09/17.