methyl 2,3-dihydro-1H-indole-1-carboxylate

Base Information

• Chemical Name: methyl 2,3-dihydro-1H-indole-1-carboxylate
• CAS No.: 89875-37-6
• Molecular Formula: C10H11 N O2
• Molecular Weight: 177.203
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30351077
• Nikkaji Number: J2.240.350H
• Wikidata: Q82127189
• Mol file: 89875-37-6.mol

Synonyms:89875-37-6;methyl 2,3-dihydro-1H-indole-1-carboxylate;METHYL 2,3-DIHYDRO-1-INDOLECARBOXYLATE;METHYL2,3-DIHYDRO-1-INDOLECARBOXYLATE;methyl 2,3-dihydroindole-1-carboxylate;l-Methoxycarbonylindoline;1-Methoxycarbonylindoline;methyl indoline-1-carboxylate;2,3-Dihydro-indole-1-carboxylic acid methyl ester;SCHEMBL5585204;DTXSID30351077;FAXJQPQXTRSDGW-UHFFFAOYSA-N;STK733391;AKOS000639876;CS-0233211;FT-0693590;EN300-131770;2,3-dihydroindole-1-carboxylic Acid Methyl Ester;SR-01000510883;SR-01000510883-1;Z57190287

Chemical Property of methyl 2,3-dihydro-1H-indole-1-carboxylate

Chemical Property:

• PSA: 29.54000
• LogP: 1.88050
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

methyl2,3-dihydro-1H-indole-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)N1CCC2=CC=CC=C21

Technology Process of methyl 2,3-dihydro-1H-indole-1-carboxylate

There total 2 articles about methyl 2,3-dihydro-1H-indole-1-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: 78.0%

2-aminophenethyl alcohol (5339-85-5) + carbonic acid dimethyl ester (616-38-6) → 2-aminophenethyl methyl carbonate (1354910-02-3) + 2,3-dihydroindole-1-carboxylic acid methyl ester (89875-37-6)

Guidance literature:

With potassium tert-butylate; at 90 ℃; for 6h; Inert atmosphere;

DOI:10.1039/c1gc15698e

Reference yield: 38.0%

C10H12BrNO2 (1023030-72-9) → Methyl N-ethyl-N-phenylcarbamate (85608-07-7) + 2,3-dihydroindole-1-carboxylic acid methyl ester (89875-37-6)

Guidance literature:

With palladium diacetate; caesium carbonate; tricyclohexylphosphine tetrafluoroborate; Trimethylacetic acid; In 5,5-dimethyl-1,3-cyclohexadiene; at 140 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol800425z

Reference yield: 97.0%

2,3-dihydroindole-1-carboxylic acid methyl ester (89875-37-6) → 5-bromo-1-carbomethoxyindoline (918529-91-6)

Guidance literature:

With bromine; In tetrachloromethane; at 20 ℃; for 0.1h;

DOI:10.1021/np060406a

upstream raw materials:

C₁₀H₁₂BrNO₂

2-aminophenethyl alcohol

carbonic acid dimethyl ester

Downstream raw materials:

5-bromo-1-carbomethoxyindoline

2,3,5-tribromo-1-methyl-1H-indole

1-indoline