Methyl 2-phenyl-1H-indole-3-carboxylate

Base Information

• Chemical Name: Methyl 2-phenyl-1H-indole-3-carboxylate
• CAS No.: 36779-17-6
• Molecular Formula: C16H13NO2
• Molecular Weight: 251.285
• DSSTox Substance ID: DTXSID20464105
• Nikkaji Number: J1.934.449E
• Wikidata: Q82289302
• Mol file: 36779-17-6.mol

Synonyms:Methyl 2-phenyl-1H-indole-3-carboxylate;36779-17-6;SCHEMBL5438097;DTXSID20464105;HGITVIYWAGXDTD-UHFFFAOYSA-N;FT-0765551

Chemical Property of Methyl 2-phenyl-1H-indole-3-carboxylate

Chemical Property:

• Vapor Pressure: 6.21E-09mmHg at 25°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 251.094628657
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3

Technology Process of Methyl 2-phenyl-1H-indole-3-carboxylate

There total 77 articles about Methyl 2-phenyl-1H-indole-3-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: 100.0%

C16H13N3O2 (1198328-71-0) → methyl 2-phenyl-1H-indole-3-carboxylate (36779-17-6)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/jo902089e

Reference yield: 90.0%

1-methoxy-2-phenyl-1H-indole-3-carboxylic acid methyl ester (610315-35-0) → methyl 2-phenyl-1H-indole-3-carboxylate (36779-17-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1016/S0040-4039(03)01744-1

Reference yield: 84.0%

2-diazo-3-oxo-3-phenyl-propionic acid methyl ester (1807-69-8) + N-(benzylidene)aniline N-oxide (1137-96-8,26505-49-7,201024-81-9) → methyl 2-phenyl-1H-indole-3-carboxylate (36779-17-6)

Guidance literature:

With silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper diacetate; sodium acetate; In 1,2-dichloro-ethane; at 120 ℃; for 12h; Sealed tube;

DOI:10.1021/acs.joc.7b02105

upstream raw materials:

methyl 4-methyl-2-phenyl-3,1-benzoxazepine-5-carboxylate

methyl 2-phenyl-3,1-benzoxazepine-5-carboxylate

methanol

carbon monoxide

Downstream raw materials:

C₃₀H₂₂ClNO₃

C₂₃H₁₉NO₂

C₂₃H₁₆ClNO₃

2-phenylindole-3-acetic acid