1,3-Dimethyl 2-(1H-indol-3-yl)propanedioate

Base Information

Chemical Name:1,3-Dimethyl 2-(1H-indol-3-yl)propanedioate
CAS No.:71146-14-0
Molecular Formula:C₁₃H₁₃NO₄
Molecular Weight:247.251
Hs Code.:
DSSTox Substance ID:DTXSID301264290
Nikkaji Number:J2.408.206G

Synonyms:DTXSID301264290;71146-14-0;1,3-Dimethyl 2-(1H-indol-3-yl)propanedioate

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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-(1H-indol-3-yl)propanedioate

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:247.08445790
Heavy Atom Count:18
Complexity:315

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C(C1=CNC2=CC=CC=C21)C(=O)OC

Technology Process of 1,3-Dimethyl 2-(1H-indol-3-yl)propanedioate

There total 1 articles about 1,3-Dimethyl 2-(1H-indol-3-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: 80.0%

: 120-72-9
indole

: 6773-29-1
dimethyl diazomalonate

: 71146-14-0
dimethyl 2-(1H-indol-3-yl)malonate

Guidance literature:: With copper acetylacetonate; In benzene; for 6h; regioselective reaction; Reflux; Inert atmosphere;
DOI:10.1021/ol1020948

Reference yield: 76.0%

: 129225-67-8
2,6-dimethylbenzenesulfenyl chloride

: 71146-14-0
dimethyl 2-(1H-indol-3-yl)malonate

: 1054599-33-5
dimethyl ((2-[(2,6-dimethylphenyl)thio]-1H-indol-3-yl)methyl)malonate

Guidance literature:: In dichloromethane; at 20 ℃; Inert atmosphere;
DOI:10.1002/anie.200801336

Reference yield: 74.0%

: 71146-14-0
dimethyl 2-(1H-indol-3-yl)malonate

: (1E,4Z)-5-hydroxy-1-phenylhexa-1,4-dien-3-one

: dimethyl 4-cinnamoyl-3-methylpyrano[4,3-b]indole-1,1(5H)-dicarboxylate

Guidance literature:: dimethyl 2-(1H-indol-3-yl)malonate; (1E,4Z)-5-hydroxy-1-phenylhexa-1,4-dien-3-one; With potassium phosphate; iodine; In acetonitrile; at 20 ℃; for 0.333333h; Inert atmosphere;

In o-xylene; at 130 ℃; for 0.5h; Inert atmosphere; Microwave irradiation;
DOI:10.1021/acs.orglett.0c01896