2-Bromophenethylamine

Base Information

• Chemical Name: 2-Bromophenethylamine
• CAS No.: 65185-58-2
• Molecular Formula: C8H10BrN
• Molecular Weight: 200.078
• Hs Code.: 29214990
• European Community (EC) Number: 628-929-2
• DSSTox Substance ID: DTXSID80370117
• Nikkaji Number: J1.611.924E
• Wikidata: Q72449040
• Pharos Ligand ID: TAU23HV17S5Z
• ChEMBL ID: CHEMBL447753
• Mol file: 65185-58-2.mol

Synonyms:2-Bromophenethylamine;65185-58-2;2-(2-bromophenyl)ethanamine;2-(2-bromophenyl)ethylamine;2-bromophenylethylamine;Benzeneethanamine, 2-bromo-;2-Bromo phenethylamin;2-(2-bromophenyl)ethan-1-amine;2-(2-bromopheneyl)ethylamine;CHEMBL447753;1-Amino-(2-bromophenyl)ethane;2-bromo phenethylamine;2-bromo-phenethylamine;2-bromophen-ethylamine;2-bromophenethyl amine;2-Bromophenethylamine, 97%;SCHEMBL265615;2-(2-bromophenyl) ethanamine;2-(2-bromophenyl)-ethanamine;2-(2-bromo-phenyl)-ethylamine;DTXSID80370117;ITRNQMJXZUWZQL-UHFFFAOYSA-N;HMS3749O07;BDBM50262753;MFCD01529874;AKOS000189274;CS-W013200;2-(2-Bromo-cyclohexylidene)-acetonitrile;TS-02823;AM20060706;B3938;FT-0646437;EN300-59686;J-505543;J-508538;Z295382782

Chemical Property of 2-Bromophenethylamine

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 0.0137mmHg at 25°C
• Refractive Index: n20/D 1.5770(lit.)
• Boiling Point: 258.5 °C at 760 mmHg
• PKA: 9.52±0.10(Predicted)
• Flash Point: 110.1 °C
• PSA: 26.02000
• Density: 1.407 g/cm³
• LogP: 2.65060
• Storage Temp.: Store under Nitrogen
• Sensitive.: Air Sensitive
• 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-Bromophenylethylamine ^*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=C(C(=C1)CCN)Br
• Uses: 2-(2-Bromophenyl)ethylamine is used as a pharmaceutical intermediate.

Technology Process of 2-Bromophenethylamine

There total 7 articles about 2-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: 94.0%

2-(2-bromophenyl)acetonitrile (19472-74-3) → 2-(2-bromophenyl)ethanamine (65185-58-2)

Guidance literature:

2-(2-bromophenyl)acetonitrile; With borane tetrahydrofuran; In tetrahydrofuran; for 24h; Reflux;

With methanol; sulfuric acid; In tetrahydrofuran; water; at 20 ℃; for 1h;

With sodium hydroxide; In tetrahydrofuran; water;

DOI:10.1021/jo8016428

Reference yield: 70.4%

2-(2-bromophenyl)acetamide (65999-53-3) → 2-(2-bromophenyl)ethanamine (65185-58-2)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield:

ortho-bromobenzaldehyde (6630-33-7) → 2-(2-bromophenyl)ethanamine (65185-58-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

2: LiAlH₄

With sodium hydroxide; lithium aluminium tetrahydride;

DOI:10.1021/jo00403a013

upstream raw materials:

N-<β-(2-bromophenyl)ethyl>phthalimide

2-(2-bromophenyl)acetonitrile

1-bromo-2-(2-bromoethyl)benzene

ortho-bromobenzaldehyde

Downstream raw materials:

[2-(2-Bromo-phenyl)-ethyl]-(6-iodo-benzo[1,3]dioxol-5-ylmethyl)-amine; hydrochloride

[2-(2-Bromo-phenyl)-ethyl]-(2-iodo-benzyl)-amine; hydrochloride

N-[2-(2-Bromo-phenyl)-ethyl]-2-iodo-benzamide

(2-Bromo-benzyl)-[2-(2-bromo-phenyl)-ethyl]-amine; hydrochloride