2-Benzyl-4-bromoaniline

Base Information

• Chemical Name: 2-Benzyl-4-bromoaniline
• CAS No.: 86233-09-2
• Molecular Formula: C13H12BrN
• Molecular Weight: 262.149
• DSSTox Substance ID: DTXSID50517779
• Wikidata: Q82379955
• Mol file: 86233-09-2.mol

Synonyms:2-BENZYL-4-BROMOANILINE;86233-09-2;2-benzyl-4-bromo-aniline;SCHEMBL7090232;DTXSID50517779;ZIADYBWNQHGRTB-UHFFFAOYSA-N;A841585

Chemical Property of 2-Benzyl-4-bromoaniline

Chemical Property:

• PSA: 26.02000
• LogP: 4.20330
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 261.01531
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)N

Technology Process of 2-Benzyl-4-bromoaniline

There total 5 articles about 2-Benzyl-4-bromoaniline 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: 63.0%

8-Bromo-6-phenyl-1,2,3,4-tetrahydro-1,4,5-benzotriazocin-2-one (39572-29-7) → 2-benzyl-4-bromoaniline (86233-09-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 4h; Ambient temperature;

DOI:10.1007/BF00513274

Reference yield: 59.0%

2-amino-5-bromobenzophenone hydrazone (39573-18-7) → 2-benzyl-4-bromoaniline (86233-09-2)

Guidance literature:

With sodium hydroxide; In diethylene glycol; at 150 ℃; for 1h;

DOI:10.1007/BF00513274

Reference yield:

4-bromo-aniline (106-40-1) → 2-benzyl-4-bromoaniline (86233-09-2)

Guidance literature:

Multi-step reaction with 3 steps

1: ethyl acetate / 2.5 h / Cooling with ice

2: aluminum (III) chloride / 6.5 h / 80 °C / Cooling with ice

3: hydrogenchloride / methanol; water / 6 h / Reflux

With hydrogenchloride; aluminum (III) chloride; In methanol; water; ethyl acetate;

upstream raw materials:

2-amino-5-bromobenzophenone hydrazone

8-Bromo-6-phenyl-1,2,3,4-tetrahydro-1,4,5-benzotriazocin-2-one

4-bromo-aniline

4-bromoacetanilide

Downstream raw materials:

2-bromo-9H-fluorene

1-(7-bromo-9,9-difluoro-9-hydrofluoren-2-yl)-2-chloroethanone