1-(3-Bromopropyl)indole

Base Information

• Chemical Name: 1-(3-Bromopropyl)indole
• CAS No.: 125334-52-3
• Molecular Formula: C11H12BrN
• Molecular Weight: 238.127
• DSSTox Substance ID: DTXSID00474500
• Nikkaji Number: J396.921E
• Mol file: 125334-52-3.mol

Synonyms:1-(3-bromopropyl)indole;125334-52-3;1-(3-bromopropyl)-1h-indole;1H-Indole, 1-(3-bromopropyl)-;N-(3-bromopropyl)indole;n-(3-bromopropyl) indole;N-(3-bromopropyl)-indole;3-(Indol-1-yl)propyl bromide;SCHEMBL2357919;DTXSID00474500;AKGMBEQNHFJEDM-UHFFFAOYSA-N;MFCD09908077;D87224

Chemical Property of 1-(3-Bromopropyl)indole

Chemical Property:

• PSA: 4.93000
• LogP: 3.42630
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 237.01531
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

N-(3-Bromopropyl)indole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CN2CCCBr

Technology Process of 1-(3-Bromopropyl)indole

There total 8 articles about 1-(3-Bromopropyl)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: 96.0%

1-(3-([tert-butyldimethyl]silyloxy)propyl)-1H-indole (408355-37-3) → 1-(3-bromopropyl)-1H-indole (125334-52-3)

Guidance literature:

With triphenylphosphine dibromide 1:1 addition complex; In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1021/ja054472v

Reference yield: 92.0%

indole (120-72-9) + 1,3-dibromo-propane (109-64-8) → 1-(3-bromopropyl)-1H-indole (125334-52-3)

Guidance literature:

indole; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.333333h;

1,3-dibromo-propane; In N,N-dimethyl-formamide; at 20 ℃; for 30h; Reagent/catalyst;

DOI:10.1007/s12039-020-01791-4

Reference yield: 75.0%

indole (120-72-9) + 1,3-dibromo-propane (109-64-8) → 1-(3-(1H-indol-1-yl)propyl)-1H-indole (95365-94-9) + 1-(3-bromopropyl)-1H-indole (125334-52-3)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide; Ambient temperature;

DOI:10.1021/jo00002a083

upstream raw materials:

indole

1,3-dibromo-propane

1-(3-([tert-butyldimethyl]silyloxy)propyl)-1H-indole

1.3-chlorobromopropane

Downstream raw materials:

N-hydroxy-2-{4-[3-(indol-1-yl)propoxy]phenyl}acetamidine

{4-[3-(indol-1-yl)propoxy]phenyl}acetonitrile

1-propyl-1H-indole