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

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-2-methylpropan-1-amine
• CAS No.: 42299-95-6
• Molecular Formula: C₁₀H₁₄ClN
• Molecular Weight: 183.681
• European Community (EC) Number: 809-270-1
• Mol file: 42299-95-6.mol

Synonyms:2-(4-chlorophenyl)-2-methylpropan-1-amine;42299-95-6;SCHEMBL3749082;WDVHFHHNPWOBRS-UHFFFAOYSA-N;MFCD09903953;AKOS010033054;2-(4-chloro-phenyl)-2-methyl-propylamine;EN300-45493;Z556092664

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

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.0814771
• Heavy Atom Count: 12
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Chlorophenyl)-2-methylpropan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CN)C1=CC=C(C=C1)Cl
• Uses: 2-(4-Chlorophenyl)-2-methylpropan-1-amine is a purinergic receptor P2X3 antagonist for the treat of chronic pain.

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

There total 2 articles about 2-(4-Chlorophenyl)-2-methylpropan-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: 73.0%

→ 2-(4-chlorophenyl)-2-methyl-propan-1-amine (42299-95-6)

Guidance literature:

Reference yield:

2-(4-chlorophenyl)-2-methylpropanenitrile (30568-32-2) → 2-(4-chlorophenyl)-2-methyl-propan-1-amine (42299-95-6)

Guidance literature:

2-(4-chlorophenyl)-2-methylpropanenitrile; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃;

With potassium hydroxide; In tetrahydrofuran; water; at 20 ℃;

Reference yield:

2-(4-chlorophenyl)-2-methyl-propan-1-amine (42299-95-6) + 2-picolinoyl chloride hydrochloride (39901-94-5) → C16H17ClN2O

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.5b00307

upstream raw materials:

2-(4-chlorophenyl)-2-methylpropanenitrile