4-(2-Chlorophenyl)butylamine

Base Information

• Chemical Name: 4-(2-Chlorophenyl)butylamine
• CAS No.: 807343-03-9
• Molecular Formula: C10H14ClN
• Molecular Weight: 183.681
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID20465733
• Nikkaji Number: J1.927.255I
• Wikidata: Q82291922
• Mol file: 807343-03-9.mol

Synonyms:4-(2-chlorophenyl)butan-1-amine;4-(2-chlorophenyl)butylamine;2-Chloro-benzenebutanamine;566913-12-0;Benzenebutanamine, 2-chloro-;SCHEMBL3788445;DTXSID20465733;2-Chloro-N-propylbenzenemethanamine;MFCD09886647;AKOS013464077;NS-01635;CS-0286696;EN300-1983925

Chemical Property of 4-(2-Chlorophenyl)butylamine

Chemical Property:

• Vapor Pressure: 0.0282mmHg at 25°C
• Boiling Point: 245.8°C at 760 mmHg
• Flash Point: 102.4°C
• PSA: 12.03000
• Density: 1.043g/cm³
• LogP: 3.23050
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 183.0814771
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-N-propylbenzenemethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCCCN)Cl
• Uses: 2-Chloro-N-propylbenzenemethanamine acts as a reagent for the synthesis and biological evaluation of N-(substituted benzyl)-N-propyl-2-(trichloromethyl) quinazolin-4-amine derivatives as cytotoxic agent.

Technology Process of 4-(2-Chlorophenyl)butylamine

There total 4 articles about 4-(2-Chlorophenyl)butylamine 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: 62.0%

propylamine (107-10-8,42939-71-9) + 2-chloro-benzaldehyde (89-98-5) → N-(2-chlorobenzyl)propylamine (807343-03-9)

Guidance literature:

propylamine; 2-chloro-benzaldehyde; In methanol; at 0 - 20 ℃; for 3.5h;

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃;

Reference yield:

1-(2-chlorophenyl)-N-propylmethanimine (58645-99-1) → N-(2-chlorobenzyl)propylamine (807343-03-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 1h;

DOI:10.1021/ja045342+

Reference yield:

2-chloro-benzaldehyde (89-98-5) → N-(2-chlorobenzyl)propylamine (807343-03-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂SO₄ / CH₂Cl₂ / 2 h

2: 1.77 g / NaBH₄ / methanol / 1 h / 20 °C

With sodium tetrahydroborate; sodium sulfate; In methanol; dichloromethane;

DOI:10.1021/ja045342+

upstream raw materials:

1-(2-chlorophenyl)-N-propylmethanimine

2-chloro-benzaldehyde

propylamine

Downstream raw materials:

C₁₁H₁₃Cl₂NO