NSC406726

Base Information

• Chemical Name: NSC406726
• CAS No.: 1077-79-8
• Molecular Formula: C10H10 O3
• Molecular Weight: 178.188
• Mol file: 1077-79-8.mol

Synonyms:Benzoicacid, o-acetyl-, methyl ester (6CI,7CI,8CI); Methyl 2-acetylbenzoate; NSC406726

Chemical Property of NSC406726

Chemical Property:

• Vapor Pressure: 0.00274mmHg at 25°C
• Boiling Point: 285.8°C at 760 mmHg
• Flash Point: 124°C
• PSA: 43.37000
• Density: 1.121g/cm³
• LogP: 1.67580
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl2-Acetylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of NSC406726

There total 27 articles about NSC406726 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: 97.0%

2-acetyl-benzoic acid (577-56-0) + Methyl trichloroacetate (598-99-2) → methyl 2-acetylbenzoate (1077-79-8)

Guidance literature:

With 18-crown-6 ether; potassium carbonate; at 90 - 150 ℃; for 2h;

Reference yield: 93.8%

2-(2-bromoacetyl)benzoic acid methyl ester (7460-55-1) → methyl 2-acetylbenzoate (1077-79-8)

Guidance literature:

With indium; acetic acid; In methanol; at 20 ℃; for 0.333333h;

DOI:10.1081/SCC-200057259

Reference yield: 93.0%

2-acetyl-benzoic acid (577-56-0) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 2-acetylbenzoate (1077-79-8)

Guidance literature:

In methanol; hexane; benzene; at 0 ℃;

upstream raw materials:

2-acetyl-benzoic acid

diazomethane

Methyl-tert.-butylperoxyoxalat

acetophenone

Downstream raw materials:

2-(2-bromoacetyl)benzoic acid methyl ester

2-ethynyl-benzoic acid methyl ester

(2E)-3,7-dimethyloct-2,6-dienyl 2-acetylbenzoate

methanol

Refernces

• 1、 Kitayama, Takashi. "Microbial asymmetric syntheses of 3-alkylphthalide derivatives". . p. 3765 - 3774. Retrieved 1997.
• 2、 Fox, Marye Anne,Chen, Chia-Chung,Younathan, Janet N. N.. "Oxidative Cleavage of Substituted Naphthalenes Induced by Irradiated Semiconductor Powders". . p. 1969 - 1974. Retrieved 1984.
• 3、 Wang, Bo,Lamattina, Joseph W.,Marshall, Savannah L.,Booker, Squire J.. "Capturing Intermediates in the Reaction Catalyzed by NosN, a Class C Radical S-Adenosylmethionine Methylase Involved in the Biosynthesis of the Nosiheptide Side-Ring System". supporting information. . Retrieved 2019/04/17.
• 4、 Lu, Bin,Zhao, Mengmeng,Ding, Guangni,Xie, Xiaomin,Jiang, Lili,Ratovelomanana-Vidal, Virginie,Zhang, Zhaoguo. "Ruthenium-Catalyzed Enantioselective Hydrogenation/Lactonization of 2-Acylarylcarboxylates: Direct Access to Chiral 3-Substituted Phthalides". . p. 3989 - 3996. Retrieved 2017/09/13.