1-(3-Chlorophenyl)ethanamine

Base Information

• Chemical Name: 1-(3-Chlorophenyl)ethanamine
• CAS No.: 24358-43-8
• Molecular Formula: C8H10ClN
• Molecular Weight: 155.627
• Hs Code.: 2921499090
• European Community (EC) Number: 827-725-2
• DSSTox Substance ID: DTXSID00407454
• Nikkaji Number: J3.364.741G
• Mol file: 24358-43-8.mol

Synonyms:1-(3-chlorophenyl)ethanamine;24358-43-8;1-(3-Chlorophenyl)ethylamine;1-(3-chloro-phenyl)-ethylamine;1-(3-chlorophenyl)ethan-1-amine;MFCD05215231;(R)-1-(3-chlorophenyl)ethan-1-amine;MFCD06761822;MFCD06761823;1-(3-chloro phenyl)ethyl amine;SCHEMBL148751;SCHEMBL13666761;DTXSID00407454;DQEYVZASLGNODG-UHFFFAOYSA-N;(rac)-1-(3-chlorophenyl)ethanamine;AKOS000117556;AKOS016340759;SB75829;SB76308;SB76582;AM100559;BS-13187;SY027082;SY239977;SY258403;1-(3-Chlorophenyl)ethanamine, AldrichCPR;BB 0216577;CS-0197075;FT-0648149;FT-0648198;FT-0664877;Benzenemethanamine, 3-chloro-.alpha.-methyl-;EN300-09769;A18515;N10803;4-(2-AMINOETHYL)BENZOICACIDHYDROCHLORIDE;Z56347061

Chemical Property of 1-(3-Chlorophenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.145mmHg at 25°C
• Boiling Point: 215.8oC at 760 mmHg
• PKA: 8.73±0.10(Predicted)
• Flash Point: 91.9oC
• PSA: 26.02000
• Density: 1.122g/cm3
• LogP: 3.06000
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.0501770
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Chlorophenyl)ethylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=CC=C1)Cl)N
• Uses: 1-(3-chlorophenyl)ethanamine is a chlorinated arylamine used in the preparation of anticonvulsants. 1-(3-Chlorophenyl)ethylamine is a chlorinated arylamine used in the preparation of anticonvulsants.

Technology Process of 1-(3-Chlorophenyl)ethanamine

There total 24 articles about 1-(3-Chlorophenyl)ethanamine 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: 99.0%

(R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide (1211473-50-5) → (R)-α-(m-chlorophenyl)ethylamine (24358-43-8,68297-62-1,147200-14-4,17061-53-9)

Guidance literature:

With hydrogenchloride; In methanol; diethyl ether; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.15227/orgsyn.090.0338

Reference yield: 95.0%

(R)-N-[1-(3-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide → (R)-α-(m-chlorophenyl)ethylamine (24358-43-8,68297-62-1,147200-14-4,17061-53-9)

Guidance literature:

(R)-N-[1-(3-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide; With [RhCl₂(p-cymene)]2; potassium tert-butylate; 2-Amino-2-methyl-1-propanol; isopropyl alcohol; at 50 ℃; for 0.5h; Inert atmosphere; Microwave irradiation; Molecular sieve;

With hydrogenchloride; In methanol; at 20 ℃; enantioselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.201402884

Reference yield: 90.0%

3'-Chloroacetophenone (99-02-5) → 1-(3-Chloro-phenyl)-ethylamine (24358-43-8)

Guidance literature:

With formic acid; C₂₆H₃₄ClIrN₄O; ammonium formate; In methanol; at 80 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.9b01565

upstream raw materials:

3'-Chloroacetophenone

N-[1-(3-chloro-phenyl)-ethyl]-formamide

1-(3-chlorophenyl)ethanone oxime

1-(m-Chlorophenyl)ethanol

Downstream raw materials:

1-(3-chlorophenyl)ethylamine1-(3-chlorophenyl)ethylamine

(R)-α-(m-chlorophenyl)ethylamine

3-(1-aminoethyl)-N-octylaniline

3-(1-aminoethyl)-N-methylaniline