{1-[(Benzyloxy)carbonyl]-2-methyl-1H-indol-3-yl}acetic acid

Base Information

Chemical Name:{1-[(Benzyloxy)carbonyl]-2-methyl-1H-indol-3-yl}acetic acid
CAS No.:924635-06-3
Molecular Formula:C19H17NO4
Molecular Weight:323.348
Hs Code.:
DSSTox Substance ID:DTXSID60582791
Wikidata:Q82474291

Synonyms:924635-06-3;DTXSID60582791;{1-[(Benzyloxy)carbonyl]-2-methyl-1H-indol-3-yl}acetic acid

Suppliers and Price of {1-[(Benzyloxy)carbonyl]-2-methyl-1H-indol-3-yl}acetic acid

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of {1-[(Benzyloxy)carbonyl]-2-methyl-1H-indol-3-yl}acetic acid

Chemical Property:

PSA：68.53000
LogP:3.76170
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:323.11575802
Heavy Atom Count:24
Complexity:460

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3)CC(=O)O

Technology Process of {1-[(Benzyloxy)carbonyl]-2-methyl-1H-indol-3-yl}acetic acid

There total 1 articles about {1-[(Benzyloxy)carbonyl]-2-methyl-1H-indol-3-yl}acetic acid 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: 98.0%

: 1912-43-2
2-methyl-3-indoleacetic acid

: 501-53-1,94274-21-2
benzyl chloroformate

: 924635-06-3
2-(1-(benzyloxycarbonyl)-2-methyl-1H-indol-3-yl)acetic acid

Guidance literature:: 2-methyl-3-indoleacetic acid; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.5h;

benzyl chloroformate; In tetrahydrofuran; at -78 ℃; for 1h;
DOI:10.1021/jm060631p

Reference yield:

: 924635-06-3
2-(1-(benzyloxycarbonyl)-2-methyl-1H-indol-3-yl)acetic acid

: 3-chlorocarbonylmethyl-2-methyl-indole-1-carboxylic acid benzyl ester

Guidance literature:: With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; for 1h;
DOI:10.1021/jm060631p

Reference yield:

: 924635-06-3
2-(1-(benzyloxycarbonyl)-2-methyl-1H-indol-3-yl)acetic acid

: 924635-07-4
benzyl 3-(3-chloro-2-oxopropyl)-2-methyl-1H-indole-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: oxalyl chloride; DMF / tetrahydrofuran / 1 h

2.1: diethyl ether; tetrahydrofuran

2.2: HCl / diethyl ether; tetrahydrofuran

With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; diethyl ether;
DOI:10.1021/jm060631p