1-(3-Bromophenyl)-1-methylethylamine

Base Information

• Chemical Name: 1-(3-Bromophenyl)-1-methylethylamine
• CAS No.: 74702-93-5
• Molecular Formula: C9H12 Br N
• Molecular Weight: 214.105
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID50515553
• Wikidata: Q72510987
• Mol file: 74702-93-5.mol

Synonyms:1-(3-BROMOPHENYL)-1-METHYLETHYLAMINE;74702-93-5;2-(3-bromophenyl)propan-2-amine;MFCD11109722;1-(3-bromophenyl)-1-methylethylamine hcl;SCHEMBL746480;DTXSID50515553;WXAFGTXOIBNLNB-UHFFFAOYSA-N;2-(3-bromophenyl)-2-propylamine;AM9435;AKOS009997265;AB63427;GS-5494;1-(3-Bromo-phenyl)-1-methyl-ethylamine;SY023021;1-(1-Amino-1-methylethyl)-3-bromobenzene;A9556;CS-0132993;FT-0737461;EN300-117427;A865818

Chemical Property of 1-(3-Bromophenyl)-1-methylethylamine

Chemical Property:

• Boiling Point: 246 ºC
• PKA: 9.05±0.10(Predicted)
• Flash Point: 102 ºC
• PSA: 26.02000
• Density: 1.342
• LogP: 3.34320
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 213.01531
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99%, ^*data from raw suppliers

1-(3-Bromophenyl)-1-methylethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Bromophenyl)-1-methylethylamine

There total 5 articles about 1-(3-Bromophenyl)-1-methylethylamine 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: 50.0%

→ 2-(3-bromophenyl)propan-2-amine (74702-93-5)

Guidance literature:

Reference yield: 34.0%

2-(3-bromophenyl)-2-propanol (30951-66-7) → 2-(3-bromophenyl)propan-2-amine (74702-93-5)

Guidance literature:

2-(3-bromophenyl)-2-propanol; With sodium azide; trifluoroacetic acid; In dichloromethane; at -5 - 20 ℃; for 0.25h; Inert atmosphere;

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 3h;

DOI:10.1021/acs.orglett.7b03152

Reference yield:

3-cyanobromobenzene (6952-59-6) + methyllithium (917-54-4) → 2-(3-bromophenyl)propan-2-amine (74702-93-5)

Guidance literature:

methyllithium; With cerium(III) chloride; In tetrahydrofuran; diethyl ether; for 0.5h; Cooling with acetone-dry ice;

3-cyanobromobenzene; In tetrahydrofuran; diethyl ether;

upstream raw materials:

N-(2-(3-bromophenyl)propan-2-yl)-2-chloroacetamide

3-cyanobromobenzene

methyllithium

1-(3-Bromophenyl)ethanone

Downstream raw materials:

tert-butyl [2-(3-bromophenyl)propan-2-yl]carbamate

2-(2-(3-bromophenyl)propan-2-ylamino)-1-(3,4-dichlorophenyl)ethanol

2-(2-(3-bromophenyl)propan-2-ylamino)-1-(3,4-dichlorophenyl)ethanone

4-(2-(3-bromophenyl)propan-2-yl)morpholine

Refernces

• 1、 -. "ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF". Page/Page column 70; 115-116. . Retrieved 2010/12/17.
• 2、 -. "NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE". Page/Page column 36-37. . Retrieved 2009/12/05.