4-Chlorophenethylamine

Base Information

• Chemical Name: 4-Chlorophenethylamine
• CAS No.: 156-41-2
• Molecular Formula: C8H10ClN
• Molecular Weight: 155.627
• Hs Code.: 29214990
• European Community (EC) Number: 205-853-4
• DSSTox Substance ID: DTXSID40166018
• Nikkaji Number: J5.182I
• Wikidata: Q72456366
• ChEMBL ID: CHEMBL477764
• Mol file: 156-41-2.mol

Synonyms:4-chloro-beta-phenethylamine;4-chlorophenethylamine;4-chlorophenethylamine hydrochloride;4-chlorophenylethylamine;p-chlorophenethylamine

Chemical Property of 4-Chlorophenethylamine

Chemical Property:

• Appearance/Colour: clear almost colorless liquid.
• Vapor Pressure: 0.056mmHg at 25°C
• Refractive Index: n20/D 1.548(lit.)
• Boiling Point: 233.4 °C at 760 mmHg
• PKA: 9.72±0.10(Predicted)
• Flash Point: 107.5 °C
• PSA: 26.02000
• Density: 1.128 g/cm³
• LogP: 2.54150
• Storage Temp.: Store Cold
• 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: 87.3

Purity/Quality:

GC>98% ^*data from raw suppliers

2-(4-Chlorophenyl)ethylamine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCN)Cl
• Uses: 2-(4-Chlorophenyl)ethylamine has been used as a reactant in the preparation of isoalloxazine derivatives as cholinesterase inhibitors with a potential use in Alzheimer therapy.

Technology Process of 4-Chlorophenethylamine

There total 35 articles about 4-Chlorophenethylamine 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: 98.5%

1-[2-(tert-butoxycarbonylamino)ethyl]4-chlorobenzene (167886-56-8) → 4-chlorophenylethylamine (156-41-2)

Guidance literature:

1-[2-(tert-butoxycarbonylamino)ethyl]4-chlorobenzene; With hydrogenchloride; In water; at 88 ℃; for 0.833333h; under 1900.13 Torr;

With sodium hydroxide; In water; at 70 ℃; pH=4; Reagent/catalyst; Temperature; Pressure;

Reference yield: 95.0%

1-chloro-4-(2-nitroethyl)benzene (60947-43-5) → 4-chlorophenylethylamine (156-41-2)

Guidance literature:

With samarium diiodide; water; isopropylamine; In tetrahydrofuran;

DOI:10.1016/j.tetlet.2007.05.105

Reference yield: 84.0%

2-4-chlorophenylethylcarbamic acid methyl ester (328281-40-9) → 7-chloro-1,2,3,4-tetrahydroisoquinolin-1-one (22245-95-0) + 4-chlorophenylethylamine (156-41-2)

Guidance literature:

With trifluorormethanesulfonic acid; trifluoroacetic acid; at 0 - 70 ℃; for 23h;

DOI:10.1021/jo3020566

upstream raw materials:

4-chloromandelonitrile

3-(4-chlorophenyl)propionic amide

3-(4-chlorophenyl)propanoyl chloride

p-chlorobenzyl cyanide

Downstream raw materials:

isonicotinic acid-(4-chloro-phenethylamide)

N-(4-chloro-phenethyl)-β-alanine nitrile

(4-chloro-phenethylamino)-acetaldehyde diethylacetal

3-(4-chloro-phenethyl)-5-cyclohexyl-[1,3,5]thiadiazinane-2-thione

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、 -. "Method for preparing lorcaserin". Paragraph 0009-0011. . Retrieved 2020/08/22.