2-(4-Methylbenzyl)butanedioic acid dimethyl ester

Base Information

Chemical Name:2-(4-Methylbenzyl)butanedioic acid dimethyl ester
CAS No.:108124-67-0
Molecular Formula:C14H18O4
Molecular Weight:250.295
Hs Code.:
DSSTox Substance ID:DTXSID001169209
Nikkaji Number:J2.947.354D
Mol file:108124-67-0.mol

Synonyms:DTXSID001169209;2-(4-Methylbenzyl)butanedioic acid dimethyl ester;2-(4-methyl-benzyl)-butanedioic acid dimethyl ester;(R,S)-2-(4-methyl-benzyl)-butanedioic acid dimethyl ester;Butanedioic acid, 2-[(4-methylphenyl)methyl]-, 1,4-dimethyl ester;108124-67-0

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Chemical Property of 2-(4-Methylbenzyl)butanedioic acid dimethyl ester

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:250.12050905
Heavy Atom Count:18
Complexity:280

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)CC(CC(=O)OC)C(=O)OC

Technology Process of 2-(4-Methylbenzyl)butanedioic acid dimethyl ester

There total 7 articles about 2-(4-Methylbenzyl)butanedioic 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: 69.0%

: 106-42-3
para-xylene

: 23055-10-9
1,4-dimethyl but-2-enedioate

: 108124-67-0
2-[(4-methylphenyl)methyl]succinic acid dimethyl ester

Guidance literature:: With 9-(2-mesityl)-10-methylacridinium perchlorate; In 1,2-dichloro-ethane; at 20 ℃; Irradiation; Green chemistry;
DOI:10.1039/c7sc00953d

Reference yield: 68.0%

: 2C₇H₆FO₃S^(1-)*Zn⁽²⁺⁾

: 23055-10-9
1,4-dimethyl but-2-enedioate

: 108124-67-0
2-[(4-methylphenyl)methyl]succinic acid dimethyl ester

Guidance literature:: With [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; In ethanol; water; for 40h; Irradiation;
DOI:10.1021/acscatal.7b01669