2-benzyl-1H-indole

Base Information

• Chemical Name: 2-benzyl-1H-indole
• CAS No.: 3377-72-8
• Molecular Formula: C15H13N
• Molecular Weight: 207.275
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID401311767
• Nikkaji Number: J80.709E
• Mol file: 3377-72-8.mol

Synonyms:2-benzyl-1H-indole;3377-72-8;1h-indole,2-(phenylmethyl)-;benzylindole;2-benzylindole;2-(Phenylmethyl)-1H-indole;SCHEMBL3193871;UZOBCRQUEAWJQH-UHFFFAOYSA-N;DTXSID401311767;BS-46160;E75200

Chemical Property of 2-benzyl-1H-indole

Chemical Property:

• PSA: 15.79000
• LogP: 3.75870
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 207.104799419
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

95% ^*data from raw suppliers

2-Benzyl-1H-indole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC3=CC=CC=C3N2

Technology Process of 2-benzyl-1H-indole

There total 85 articles about 2-benzyl-1H-indole 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%

1-benzoyl-1-benzyloxycarbonylindole (81803-88-5) → 2-benzylindole (3377-72-8)

Guidance literature:

With sodium carbonate; In methanol; water; Ambient temperature;

Reference yield: 99.0%

indole (120-72-9) + benzyl bromide (100-39-0) → 2-benzylindole (3377-72-8)

Guidance literature:

indole; With sodium hydride; In N,N-dimethyl-formamide; paraffin oil; at -5 - 20 ℃; for 0.5h;

benzyl bromide; In N,N-dimethyl-formamide; paraffin oil; at -5 ℃; for 0.5h;

Reference yield: 95.0%

ethyl 2-benzyl-1H-indole-1-carboxylate (104837-97-0) → 2-benzylindole (3377-72-8)

Guidance literature:

With sodium hydroxide; In acetonitrile; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1039/d0nj01981j

upstream raw materials:

3-benzyl-1H-indole

ethanol

3-(α-hydroxyimino-phenethyl)-indolin-2-one

potassium acetate

Downstream raw materials:

11-methyl-6-phenyl-7,8,9,10-tetrahydro-5H-benzcarbazole

1-[5-(3-Benzyl-1H-indol-2-yl)-2-phenyl-pyrazolidin-1-yl]-ethanone

2,3-dibenzyl-indole

1-benzoyl-1-benzyloxycarbonylindole

Refernces

• 1、 -. "Method for synthesizing 2-substituted indole derivative under catalysis of copper". Paragraph 0035-0038. . Retrieved 2021/09/11.
• 2、 Shi, Yang,Wang, Gangqiang,Wang, Hang,Deng, Bin,Gao, Tao,Wang, Jian,Guo, Haibing,Wu, Minghu,Sun, Shaofa. "Cu-catalyzed cyclization to construct indoles fromN-(ortho-chloromethyl)aryl carbamates and terminal alkynesviaa one-pot reaction". supporting information. p. 14477 - 14480. Retrieved 2020/09/21.