2-Chloro-N-(4-chlorophenethyl)propan-1-amine

Base Information

• Chemical Name: 2-Chloro-N-(4-chlorophenethyl)propan-1-amine
• CAS No.: 897926-35-1
• Molecular Formula: C11H15Cl2N
• Molecular Weight: 232.153
• Hs Code.: 2921199090
• DSSTox Substance ID: DTXSID40470824
• Mol file: 897926-35-1.mol

Synonyms:2-Chloro-N-(4-chlorophenethyl)propan-1-amine;897926-35-1;2-chloro-N-[2-(4-chlorophenyl)ethyl]propan-1-amine;Benzeneethanamine, 4-chloro-N-(2-chloropropyl)-;SCHEMBL938702;DTXSID40470824;CS-D0912;AKOS016845968;F11680

Chemical Property of 2-Chloro-N-(4-chlorophenethyl)propan-1-amine

Chemical Property:

• Boiling Point: 314.216 °C at 760 mmHg
• PKA: 8.23±0.29(Predicted)
• Flash Point: 143.833 °C
• PSA: 12.03000
• Density: 1.136 g/cm³
• LogP: 3.49030
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 231.0581549
• Heavy Atom Count: 14
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-N-(4-chlorophenethyl)propan-1-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CNCCC1=CC=C(C=C1)Cl)Cl

Technology Process of 2-Chloro-N-(4-chlorophenethyl)propan-1-amine

There total 4 articles about 2-Chloro-N-(4-chlorophenethyl)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: 67.5%

4-chloro-N-(2-chloro-1-oxopropyl)benzeneacetamide → 2-chloro-N-(4-chlorophenethyl)propanamine (897926-35-1)

Guidance literature:

With aluminum (III) chloride; sodium tetrahydroborate; chloro-trimethyl-silane; In tetrahydrofuran; at 70 ℃; for 28h; Solvent; Temperature; Reagent/catalyst; Inert atmosphere;

Reference yield:

2-(4-chlorophenyl)-N-(2-chloropropyl)acetamide → 2-chloro-N-(4-chlorophenethyl)propanamine (897926-35-1)

Guidance literature:

With aluminum (III) chloride; lithium aluminium tetrahydride; In tetrahydrofuran; at -40 - -35 ℃; Inert atmosphere;

Reference yield:

4-chlorophenylacetic Acid (1878-66-6) → 2-chloro-N-(4-chlorophenethyl)propanamine (897926-35-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: thionyl chloride / dichloromethane; N,N-dimethyl-formamide / 25 - 35 °C / Inert atmosphere

1.2: 0 - 10 °C / Inert atmosphere

2.1: lithium aluminium tetrahydride; aluminum (III) chloride / tetrahydrofuran / -40 - -35 °C / Inert atmosphere

With aluminum (III) chloride; lithium aluminium tetrahydride; thionyl chloride; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

2-(4-chlorophenyl)-N-(2-hydroxypropyl)acetamide

4-chlorophenylacetic Acid