3-(4-Chlorophenyl)-N-(3,4-dimethoxyphenethyl)propanamide

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-N-(3,4-dimethoxyphenethyl)propanamide
• CAS No.: 1676-39-7
• Molecular Formula: C₁₉H₂₂ClNO₃
• Molecular Weight: 347.842
• Hs Code.: 2924299090
• UNII: 75U9VDL2KU
• Mol file: 1676-39-7.mol

Synonyms:1676-39-7;3-(4-Chlorophenyl)-N-(3,4-dimethoxyphenethyl)propanamide;3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;Benzenepropanamide, 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-;75U9VDL2KU;4-Chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenepropanamide;CK2568;AKOS003020808;Hydrocinnamamide, p-chloro-N-(3,4-dimethoxyphenethyl)-

Chemical Property of 3-(4-Chlorophenyl)-N-(3,4-dimethoxyphenethyl)propanamide

Chemical Property:

• Melting Point: 37-39 °C(lit.)
• Boiling Point: 268-269 °C758 mm Hg(lit.)
• PKA: 15.79±0.46(Predicted)
• Flash Point: >230℉
• PSA: 26.30000
• Density: 1.016g/cm³
• LogP: 2.28790
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 347.1288213
• Heavy Atom Count: 24
• Complexity: 372

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCNC(=O)CCC2=CC=C(C=C2)Cl)OC

Technology Process of 3-(4-Chlorophenyl)-N-(3,4-dimethoxyphenethyl)propanamide

There total 2 articles about 3-(4-Chlorophenyl)-N-(3,4-dimethoxyphenethyl)propanamide 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:

3-(4-chlorophenyl)propanoic acid (2019-34-3) + 2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) → β-Chlor-dihydrozimtsaeure-homoveratrylamid (1676-39-7)

Guidance literature:

at 200 ℃;

Reference yield:

→ β-Chlor-dihydrozimtsaeure-homoveratrylamid (1676-39-7)

Guidance literature:

entspr. Amin, Acyl.;

Reference yield:

β-Chlor-dihydrozimtsaeure-homoveratrylamid (1676-39-7) → [3-(4-Chloro-phenyl)-propyl]-[2-(3,4-dimethoxy-phenyl)-ethyl]-ethyl-amine (6166-57-0)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄

2: (i) Py, (ii) LiAlH₄

With lithium aluminium tetrahydride;

upstream raw materials:

3-(4-chlorophenyl)propanoic acid

2-(3,4-dimethoxyphenyl)-ethylamine

Downstream raw materials:

[3-(4-Chloro-phenyl)-propyl]-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine

[3-(4-Chloro-phenyl)-propyl]-[2-(3,4-dimethoxy-phenyl)-ethyl]-ethyl-amine

N-[3-(4-Chloro-phenyl)-propyl]-N-[2-(3,4-dimethoxy-phenyl)-ethyl]-acetamide