1,3-Dimethyl 2-[1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl]propanedioate

Base Information

Chemical Name:1,3-Dimethyl 2-[1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl]propanedioate
CAS No.:497159-98-5
Molecular Formula:C15H16N2O6S
Molecular Weight:352.368
Hs Code.:
DSSTox Substance ID:DTXSID001143697

Synonyms:SCHEMBL7260965;DTXSID001143697;1,3-Dimethyl 2-[1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl]propanedioate;497159-98-5

Suppliers and Price of 1,3-Dimethyl 2-[1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl]propanedioate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,3-Dimethyl 2-[1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl]propanedioate

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:352.07290741
Heavy Atom Count:24
Complexity:549

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C(C(=O)OC)C(=O)OC

Technology Process of 1,3-Dimethyl 2-[1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl]propanedioate

There total 3 articles about 1,3-Dimethyl 2-[1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl]propanedioate 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: 50.0%

: 17640-15-2
methyl cyanoformate

: 497159-97-4
methyl {1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl}acetate

: 497159-98-5
dimethyl 2-{1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl}malonate

Guidance literature:: methyl {1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl}acetate; With lithium hexamethyldisilazane; In tetrahydrofuran; at 0 ℃; for 0.5h;

methyl cyanoformate; In tetrahydrofuran; at 0 - 20 ℃;
DOI:10.1021/jm034141y

Reference yield:

: 3251-69-2
imidazole-4-acetic acid hydrochloride

: 497159-98-5
dimethyl 2-{1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl}malonate

Guidance literature:: Multi-step reaction with 3 steps

1.1: HCl / 16 h / 0 °C

2.1: 7 g / triethylamine / CH₂Cl₂ / 0.5 h

3.1: LHMDS / tetrahydrofuran / 0.5 h / 0 °C

3.2: 50 percent / tetrahydrofuran / 0 - 20 °C

With hydrogenchloride; triethylamine; lithium hexamethyldisilazane; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm034141y

Reference yield:

: 51718-80-0
methyl 2-(1H-imidazol-4-yl)acetate hydrochloride

: 497159-98-5
dimethyl 2-{1-[(4-methylphenyl)sulfonyl]-1H-imidazol-4-yl}malonate

Guidance literature:: Multi-step reaction with 2 steps

1.1: 7 g / triethylamine / CH₂Cl₂ / 0.5 h

2.1: LHMDS / tetrahydrofuran / 0.5 h / 0 °C

2.2: 50 percent / tetrahydrofuran / 0 - 20 °C

With triethylamine; lithium hexamethyldisilazane; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm034141y