2-(4-Chlorophenyl)propan-1-amine

Base Information

• Chemical Name: 2-(4-Chlorophenyl)propan-1-amine
• CAS No.: 4806-79-5
• Molecular Formula: C9H12 Cl N
• Molecular Weight: 169.654
• Hs Code.: 2921499090
• European Community (EC) Number: 225-365-5
• UNII: OJC269166D
• DSSTox Substance ID: DTXSID30963992
• Nikkaji Number: J262.465F
• Wikidata: Q27285689
• Mol file: 4806-79-5.mol

Synonyms:4-chloro-beta-methylphenethylamine;4-chloro-beta-methylphenethylamine hydrochloride;4-chloro-beta-methylphenethylamine tartrate, (+-)-isomer;p-chloro-beta-methylphenylamine

Chemical Property of 2-(4-Chlorophenyl)propan-1-amine

Chemical Property:

• Vapor Pressure: 0.00285mmHg at 25°C
• Boiling Point: 243.3 °C at 760 mmHg
• PKA: 9.74±0.10(Predicted)
• Flash Point: 116.2 °C
• PSA: 26.02000
• Density: 1.093 g/cm³
• LogP: 3.90450
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.0658271
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Chlorophenyl)propan-1-amineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN)C1=CC=C(C=C1)Cl

Technology Process of 2-(4-Chlorophenyl)propan-1-amine

There total 22 articles about 2-(4-Chlorophenyl)propan-1-amine 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: 76.0%

(E)-1-chloro-4-(1-nitroprop-1-en-2-yl) benzene (119880-56-7,109757-70-2) → p-Chloro-b-methylphenylethylamine (4806-79-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/cmdc.202000007

Reference yield:

rac-1-chloro-4-(1-nitropropan-2-yl)benzene (109757-74-6) → p-Chloro-b-methylphenylethylamine (4806-79-5)

Guidance literature:

With acetic acid; zinc; In tetrahydrofuran; methanol; at 0 - 20 ℃; for 24h;

DOI:10.1021/acs.orglett.9b04263

Reference yield:

1-chloro-4-(1-chloropropan-2-yl)benzene (873379-28-3) → p-Chloro-b-methylphenylethylamine (4806-79-5)

Guidance literature:

With ethanol; ammonia; at 160 ℃;

DOI:10.1021/ja01210a032

upstream raw materials:

1-chloro-4-(1-chloropropan-2-yl)benzene

chlorobenzene

1-amino-2-propene

hydroxylamine-O-sulfonic acid

Refernces

• 1、 Hostmann, Theresa,Molloy, John J.,Bussmann, Kathrin,Gilmour, Ryan. "Light-Enabled Enantiodivergence: Stereospecific Reduction of Activated Alkenes Using a Single Organocatalyst Enantiomer". supporting information. p. 10164 - 10168. Retrieved 2019/12/24.
• 2、 Mampreian, Dawn M.,Hoveyda, Amir H.. "Efficient Cu-catalyzed asymmetric conjugate additions of alkylzinc reagents to aromatic and aliphatic acyclic nitroalkenes". . p. 2829 - 2832. Retrieved 2007/10/03.