1-Benzyl-5-chloro-1H-indole

Base Information

• Chemical Name: 1-Benzyl-5-chloro-1H-indole
• CAS No.: 92433-38-0
• Molecular Formula: C15H12ClN
• Molecular Weight: 241.72
• DSSTox Substance ID: DTXSID80594230
• Nikkaji Number: J1.548.078E
• Wikidata: Q82489010
• Mol file: 92433-38-0.mol

Synonyms:1-Benzyl-5-chloro-1H-indole;92433-38-0;1-benzyl-5-chloroindole;5-chloro-1-benzyl-1H-indole;SCHEMBL6824300;DTXSID80594230;IZIBDDKCIGGIOJ-UHFFFAOYSA-N

Chemical Property of 1-Benzyl-5-chloro-1H-indole

Chemical Property:

• Melting Point: 58-60 °C
• Boiling Point: 407.1±28.0 °C(Predicted)
• PSA: 4.93000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 4.34300
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 241.0658271
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)Cl

Technology Process of 1-Benzyl-5-chloro-1H-indole

There total 10 articles about 1-Benzyl-5-chloro-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: 99.0%

C15H14ClN → 1-benzyl-5-chloro-1H-indole (92433-38-0)

Guidance literature:

With H₈O₂₀P₈Pt₂^(4-)*4C₃₄H₇₂N⁽¹⁺⁾; In methanol; Inert atmosphere; Irradiation;

DOI:10.1039/c8sc05600e

Reference yield: 95.0%

5-chloro-1H-indole (17422-32-1) + benzyl bromide (100-39-0) → 1-benzyl-5-chloro-1H-indole (92433-38-0)

Guidance literature:

5-chloro-1H-indole; With sodium hydride; In N,N-dimethyl-formamide; at 1 - 20 ℃; for 1h; Inert atmosphere;

benzyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol201665c

Reference yield: 90.0%

5-chloro-1H-indole (17422-32-1) + 2-bromomethylnaphthyl bromide (939-26-4) → 1-benzyl-5-chloro-1H-indole (92433-38-0)

Guidance literature:

5-chloro-1H-indole; With potassium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

2-bromomethylnaphthyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 10h;

DOI:10.1055/s-0040-1706087

upstream raw materials:

5-chloro-1H-indole

benzyl bromide

benzyl(4-chloro-2-ethynylphenyl)amine

N-(4-chlorophenyl)benzylamine

Downstream raw materials:

2-benzyl-5-chloro-1H-indole

(+/-)-tert-butyl 2-[(1-benzyl-1H-indol-5-yl)methyl]pyrrolidine-1-carboxylate

1-benzyl-3-(butylthio)-5-chloro-1H-indole

1-benzyl-5-chloro-3-(phenylthio)-1H-indole