1,3-Benzenediacetic acid dimethyl ester

Base Information

• Chemical Name: 1,3-Benzenediacetic acid dimethyl ester
• CAS No.: 36076-19-4
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• Mol file: 36076-19-4.mol

Synonyms:m-Phenylendi-essigsaeure-dimethylester;m-phenylenedi-acetic acid dimethyl ester;dimethyl 1,3-benzenediacetate;

Chemical Property of 1,3-Benzenediacetic acid dimethyl ester

Chemical Property:

• PSA: 52.60000
• LogP: 1.11760

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1,3-Benzenediacetic acid dimethyl ester

There total 7 articles about 1,3-Benzenediacetic acid dimethyl 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: 90.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 3-(chloromethyl)benzyl chloride (626-16-4) → dimethyl 2,2'-(1,3-phenylene)diacetate (36076-19-4)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; N-ethyl-N,N-diisopropylamine; at 80 ℃; for 8h; under 15514.9 Torr;

Reference yield: 69.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 3-(chloromethyl)benzyl chloride (626-16-4) → dimethyl 2,2'-(1,3-phenylene)diacetate (36076-19-4) + 1,3-benzenediacetic acid (19806-17-8)

Guidance literature:

With sodium carbonate; dicobalt octacarbonyl; at 65 ℃; for 10h; under 760 Torr; Product distribution; Mechanism; also for allyl chloride; other inorganic bases, other temperature and time;

Reference yield:

1,3-benzenediacetic acid (19806-17-8) + diazomethyl-trimethyl-silane (18107-18-1) → dimethyl 2,2'-(1,3-phenylene)diacetate (36076-19-4) + [m-(methoxycarbonylmethyl)phenyl]acetic acid

Guidance literature:

With methanol; In hexane; ethyl acetate; at 0 ℃; for 0.0833333h;

DOI:10.1016/j.bmc.2012.02.018

upstream raw materials:

methanol

1,3-bis(cyanomethyl)benzene

carbon monoxide

3-(chloromethyl)benzyl chloride

Downstream raw materials:

1,3-bis[3-(p-tolyl)-2-oxopropyl]benzene

m-Phenylendiessigsaeuredihydrazid

2-[3-(2-hydroxy-2-methylpropyl)phenyl]acetic acid

2-(3-{2-[((2R)-2-{4-benzyloxy-3-[(methylsulfonyl)amino]phenyl}-2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)amino]-2-methylpropyl}phenyl)-N-[(4'-hydroxybiphenyl-3-yl)methyl]-acetamide

Refernces

• 1、 -. "Inhibitors of nedd8-activating enzyme". Paragraph 0096. . Retrieved 2014/08/20.
• 2、 Kambe, Tohru,Maruyama, Toru,Nakai, Yoshihiko,Yoshida, Hideyuki,Oida, Hiroji,Maruyama, Takayuki,Abe, Nobutaka,Nishiura, Akio,Nakai, Hisao,Toda, Masaaki. "Discovery of novel prostaglandin analogs as potent and selective EP2/EP4 dual agonists". experimental part. p. 2235 - 2251. Retrieved 2012/05/20.