2-(2-Chlorophenyl)ethylamine

Base Information

• Chemical Name: 2-(2-Chlorophenyl)ethylamine
• CAS No.: 13078-80-3
• Molecular Formula: C8H10ClN
• Molecular Weight: 155.627
• Hs Code.: 29214990
• European Community (EC) Number: 235-982-1
• UNII: HS4BM7QJE4
• DSSTox Substance ID: DTXSID30156741
• Nikkaji Number: J28.379G
• Wikidata: Q72456362
• Pharos Ligand ID: T7NR9UHU5689
• ChEMBL ID: CHEMBL407939
• Mol file: 13078-80-3.mol

Synonyms:2-chloro-2-phenethylamine;2-chloro-2-phenethylamine hydrochloride;2-chlorophenylethylamine;ortho-chlorophenethylamine

Chemical Property of 2-(2-Chlorophenyl)ethylamine

Chemical Property:

• Appearance/Colour: Clear colorless to yellow liquid
• Vapor Pressure: 0.0391mmHg at 25°C
• Melting Point: 145 °C
• Refractive Index: n20/D 1.551(lit.)
• Boiling Point: 239.9 °C at 760 mmHg
• PKA: 9.56±0.10(Predicted)
• Flash Point: 108.9 °C
• PSA: 26.02000
• Density: 1.128 g/cm³
• LogP: 2.54150
• 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: 155.0501770
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

2-(2-Chlorophenyl)ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,C
• Statements: 36/37/38-34
• Safety Statements: 26-36-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCN)Cl
• Uses: 2-(2-Chlorophenyl)ethylamine was used in the synthesis of polymer bound BOC substituted sulfamides.

Technology Process of 2-(2-Chlorophenyl)ethylamine

There total 19 articles about 2-(2-Chlorophenyl)ethylamine 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:

1-chloro-2-[(E)-2-nitrovinyl]benzene (22568-07-6) → 2-(2-chlorophenyl)ethanamine (13078-80-3)

Guidance literature:

1-chloro-2-[(E)-2-nitrovinyl]benzene; With lithium aluminium tetrahydride; sulfuric acid; In tetrahydrofuran; at 0 - 10 ℃; for 0.583333h; Heating / reflux;

With sodium hydroxide; In tetrahydrofuran; isopropyl alcohol; at 0 - 20 ℃; for 0.5h;

Reference yield:

2-chloro-benzaldehyde (89-98-5) → 2-(2-chlorophenyl)ethanamine (13078-80-3)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether / Heating

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1016/S0968-0896(01)00236-X

Reference yield:

2-Chlorophenylacetonitrile (2856-63-5) → 2-(2-chlorophenyl)ethanamine (13078-80-3)

Guidance literature:

With lithium aluminium tetrahydride; aluminium trichloride;

DOI:10.1016/S0040-4020(77)80020-3

upstream raw materials:

3-(2-chlorophenyl)propionyl chloride

3-(2-chlorophenyl)propionamide

2-Chlorophenylacetonitrile

Diethyl N-(2-o-chlorophenylethyl)phosphoramidate

Downstream raw materials:

5,5-methylenebis-2,4,6-triaminopyrimidine

6-[2-(2-Chloro-phenyl)-ethyl]-5,6,7,8-tetrahydro-pyrimido[4,5-d]pyrimidine-2,4-diamine

2-Chloro-N-[2-(2-chloro-phenyl)-ethyl]-acetamide

Refernces

• 1、 Mihai, Madalina T.,Williams, Benjamin D.,Phipps, Robert J.. "Para-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation". supporting information. p. 15477 - 15482. Retrieved 2019/10/11.
• 2、 -. "17a-HYDROXYLASE/C17,20-LYASE INHIBITORS". Paragraph 0334. . Retrieved 2014/03/21.