Ethyl 1-acetyl-1H-indole-2-carboxylate

Base Information

Chemical Name:Ethyl 1-acetyl-1H-indole-2-carboxylate
CAS No.:100393-65-5
Molecular Formula:C13H13NO3
Molecular Weight:231.251
Hs Code.:
DSSTox Substance ID:DTXSID60573669
Nikkaji Number:J2.835.574B
Wikidata:Q82462463
Mol file:100393-65-5.mol

Synonyms:Ethyl 1-acetyl-1H-indole-2-carboxylate;100393-65-5;DTXSID60573669;ETHYL 1-ACETYLINDOLE-2-CARBOXYLATE

Suppliers and Price of Ethyl 1-acetyl-1H-indole-2-carboxylate

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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 Ethyl 1-acetyl-1H-indole-2-carboxylate

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:231.08954328
Heavy Atom Count:17
Complexity:316

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC2=CC=CC=C2N1C(=O)C

Technology Process of Ethyl 1-acetyl-1H-indole-2-carboxylate

There total 3 articles about Ethyl 1-acetyl-1H-indole-2-carboxylate 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: 77.0%

: 62436-67-3
ethyl (Z)-2-acetylamino-3-phenyl-2-propenoate

: 3770-50-1,117770-52-2
2-carbethoxyindole

: 100393-65-5
ethyl 1-acetyl-1H-indole-2-carboxylate

Guidance literature:: With oxygen; palladium diacetate; In dimethylsulfoxide-d6; ⁽²⁾H₈-toluene; at 80 ℃; for 24h; Temperature; Solvent; Molecular sieve;
DOI:10.1021/acs.orglett.6b01592

Reference yield:

: 100-52-7
benzaldehyde

: 3770-50-1,117770-52-2
2-carbethoxyindole

: 100393-65-5
ethyl 1-acetyl-1H-indole-2-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: sodium acetate; acetic anhydride / 2 h / 140 °C / Inert atmosphere

2: triethylamine / 3 h / 100 °C

3: palladium diacetate; oxygen / dimethylsulfoxide-d6; ⁽²⁾H₈-toluene / 24 h / 80 °C / Molecular sieve

With oxygen; sodium acetate; palladium diacetate; acetic anhydride; triethylamine; In dimethylsulfoxide-d6; ⁽²⁾H₈-toluene; 3: |Buchwald-Hartwig Coupling;
DOI:10.1021/acs.orglett.6b01592

Reference yield:

: 38879-46-8
(Z)-4-benzylidene-2-methyl-5(4H)-oxazolone

: 3770-50-1,117770-52-2
2-carbethoxyindole

: 100393-65-5
ethyl 1-acetyl-1H-indole-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / 3 h / 100 °C

2: palladium diacetate; oxygen / dimethylsulfoxide-d6; ⁽²⁾H₈-toluene / 24 h / 80 °C / Molecular sieve

With oxygen; palladium diacetate; triethylamine; In dimethylsulfoxide-d6; ⁽²⁾H₈-toluene; 2: |Buchwald-Hartwig Coupling;
DOI:10.1021/acs.orglett.6b01592