3-Bromophenethylamine

Base Information

• Chemical Name: 3-Bromophenethylamine
• CAS No.: 58971-11-2
• Molecular Formula: C8H10BrN
• Molecular Weight: 200.078
• Hs Code.: 29214200
• European Community (EC) Number: 629-414-5
• UNII: T535ZL7726
• DSSTox Substance ID: DTXSID60427395
• Wikidata: Q27289685
• ChEMBL ID: CHEMBL505644
• Mol file: 58971-11-2.mol

Synonyms:3-Bromophenethylamine;58971-11-2;2-(3-bromophenyl)ethanamine;2-(3-Bromo-phenyl)-ethylamine;2-(3-bromophenyl)ethylamine;BENZENEETHANAMINE, 3-BROMO-;m-bromophenethylamine;3-Bromobenzeneethanamine;2-(3-bromophenyl)ethan-1-amine;CHEMBL505644;MFCD01310790;T535ZL7726;3-bromo-phenethyamine;(3-bromophenyl)ethylamine;(3-bromo benzyl)methylamine;3-Bromophenethylamine, 97%;N-(3-Bromobenzyl)methylamine;SCHEMBL235748;[2-(3-bromophenyl)ethyl]amine;UNII-T535ZL7726;DTXSID60427395;ORHRHMLEFQBHND-UHFFFAOYSA-N;BDBM50262754;STL483300;AKOS000160050;AB08439;AC-6691;CS-W013199;GS-3907;AM20060684;B3947;FT-0630048;EN300-77239;Q-102406;Q27289685;Z285143760

Chemical Property of 3-Bromophenethylamine

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.0103mmHg at 25°C
• Refractive Index: n20/D 1.5740(lit.)
• Boiling Point: 263.426 °C at 760 mmHg
• PKA: 9.83±0.10(Predicted)
• Flash Point: 113.116 °C
• PSA: 26.02000
• Density: 1.408 g/cm³
• LogP: 2.65060
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.99966
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

99% ^*data from raw suppliers

2-(3-Bromophenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)CCN

Technology Process of 3-Bromophenethylamine

There total 10 articles about 3-Bromophenethylamine 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: 97.0%

(3-bromophenyl)acetonitrile (31938-07-5) → 2-(3-bromophenyl)ethanamine (58971-11-2)

Guidance literature:

With lithium aluminium tetrahydride; sulfuric acid; In tetrahydrofuran; at -5 - 20 ℃; for 2h;

Reference yield: 80.1%

→ 2-(3-bromophenyl)ethanamine (58971-11-2)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 80 ℃; for 24h; Cooling with ice;

With hydrogenchloride; In tetrahydrofuran; methanol; water; at 80 ℃; for 4h;

Reference yield:

1-bromo-3-(2-nitroethyl) benzene → 2-(3-bromophenyl)ethanamine (58971-11-2)

Guidance literature:

With hydrogenchloride; zinc; In methanol; water; at 65 ℃; for 1h;

upstream raw materials:

3-bromo-β-nitro-styrene

(3-bromophenyl)acetonitrile

m-bromobenzoic aldehyde

3-bromostyrene

Downstream raw materials:

2-(3,4-dimethoxy-2-nitro-phenyl)-acetic acid-(3-bromo-phenethylamide)

(5R)-3-[6-({4-[3-(2-aminoethyl)phenyl]but-3-ynyl}oxy)hexyl]-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one

C₁₁H₁₄BrNO₂

C₁₂H₁₄N₂O₂

Refernces

• 1、 Weise, Nicholas J.,Thapa, Prasansa,Ahmed, Syed T.,Heath, Rachel S.,Parmeggiani, Fabio,Turner, Nicholas J.,Flitsch, Sabine L.. "Bi-enzymatic Conversion of Cinnamic Acids to 2-Arylethylamines". . p. 995 - 998. Retrieved 2020/01/21.
• 2、 -. "GPR40 receptor stimulant, and preparation method, pharmaceutical composition and application thereof". Paragraph 0163-0169. . Retrieved 2019/10/15.