[(3-Bromophenyl)methyl](propan-2-yl)amine

Base Information

• Chemical Name: [(3-Bromophenyl)methyl](propan-2-yl)amine
• CAS No.: 110079-41-9
• Molecular Formula: C10H14BrN
• Molecular Weight: 228.13
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID20552238
• Wikidata: Q82432350
• Mol file: 110079-41-9.mol

Synonyms:[(3-bromophenyl)methyl](propan-2-yl)amine;110079-41-9;N-(3-Bromophenylmethyl)isopropylamine;N-[(3-Bromophenyl)methyl]propan-2-amine;N-(3-BROMOBENZYL)-N-ISOPROPYLAMINE;SCHEMBL19500160;DTXSID20552238;MFCD08757430;AKOS000150041;EN300-32094;C77759;Z86129864

Chemical Property of [(3-Bromophenyl)methyl](propan-2-yl)amine

Chemical Property:

• Boiling Point: 265.5±15.0 °C(Predicted)
• PKA: 9.35±0.19(Predicted)
• PSA: 12.03000
• Density: 1.262±0.06 g/cm3(Predicted)
• LogP: 3.33800
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 227.03096
• Heavy Atom Count: 12
• Complexity: 125

Purity/Quality:

97% ^*data from raw suppliers

[(3-Bromophenyl)methyl](propan-2-yl)amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC1=CC(=CC=C1)Br

Technology Process of [(3-Bromophenyl)methyl](propan-2-yl)amine

There total 2 articles about [(3-Bromophenyl)methyl](propan-2-yl)amine 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:

isopropylamine (75-31-0) + 3-bromobenzyl chloride (932-77-4) → N-(3-bromobenzyl)propan-2-amine (110079-41-9)

Guidance literature:

With potassium carbonate; In acetonitrile; for 0.5h; Reflux;

DOI:10.1016/j.bmcl.2020.127508

Reference yield:

[1-(3-Bromo-phenyl)-meth-(E)-ylidene]-isopropyl-amine (110079-39-5) → N-(3-bromobenzyl)propan-2-amine (110079-41-9)

Guidance literature:

With sodium tetrahydroborate; In methanol;

DOI:10.1021/jo00230a018

Reference yield:

BOC-glycine (4530-20-5) + N-(3-bromobenzyl)propan-2-amine (110079-41-9) → C17H25BrN2O3

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1016/j.bmc.2016.10.025

upstream raw materials:

[1-(3-Bromo-phenyl)-meth-(E)-ylidene]-isopropyl-amine

isopropylamine

3-bromobenzyl chloride