N-[2-(3,4-Dichlorophenyl)-4-hydroxybutyl]-N-methylbenzamide

Base Information

• Chemical Name: N-[2-(3,4-Dichlorophenyl)-4-hydroxybutyl]-N-methylbenzamide
• CAS No.: 142001-90-9
• Molecular Formula: C18H19Cl2NO2
• Molecular Weight: 352.26
• European Community (EC) Number: 604-268-5
• Nikkaji Number: J2.017.682B
• Mol file: 142001-90-9.mol

Synonyms:N-[2-(3,4-Dichlorophenyl)-4-hydroxybutyl]-N-methylbenzamide;142001-90-9;N-METHYL-N-(2-(3,4-DICHLOROPHENYL)-4-HYDROXY BUTYL)-BENSAMIDE;SCHEMBL4610521;NOWASWVSADZBSZ-UHFFFAOYSA-N

Chemical Property of N-[2-(3,4-Dichlorophenyl)-4-hydroxybutyl]-N-methylbenzamide

Chemical Property:

• Vapor Pressure: 6.37E-12mmHg at 25°C
• Boiling Point: 526.7oC at 760 mmHg
• Flash Point: 272.3oC
• PSA: 40.54000
• Density: 1.271g/cm3
• LogP: 4.23160
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 351.0792842
• Heavy Atom Count: 23
• Complexity: 374

Purity/Quality:

95% ^*data from raw suppliers

N-METHYL-N-(2-(3,4-DICHLOROPHENYL)-4-HYDROXY BUTYL)BENSAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC(CCO)C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2

Technology Process of N-[2-(3,4-Dichlorophenyl)-4-hydroxybutyl]-N-methylbenzamide

There total 1 articles about N-[2-(3,4-Dichlorophenyl)-4-hydroxybutyl]-N-methylbenzamide 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:

→ benzamide (55-21-0,27208-38-4) + (S)-N-[2-(3,4-Dichlorophenyl)-4-hydroxybutyl]-N-methylbenzamide (142001-90-9)

Guidance literature:

Reference yield:

(S)-N-[2-(3,4-Dichlorophenyl)-4-hydroxybutyl]-N-methylbenzamide (142001-90-9) → (S)-N-[2-(3,4-dichlorophenyl)-4-[4-(1-ethyl-1-hydroxypropyl)piperidino]butyl]-N-methylbenzamide

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) (COCl)2, DMSO, 2.) NEt₃ / 1.) CH₂Cl₂, -78 deg C, 2.) CH₂Cl₂

2: NaCNBH₃, pH 5.5 / methanol

With oxalyl dichloride; sodium cyanoborohydride; dimethyl sulfoxide; triethylamine; In methanol;

DOI:10.1016/S0960-894X(98)00037-7

Reference yield:

(S)-N-[2-(3,4-Dichlorophenyl)-4-hydroxybutyl]-N-methylbenzamide (142001-90-9) → (S)-N-[2-(3,4-Dichlorophenyl)-3-formylpropyl]-N-methylbenzamide (147643-63-8)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; Multistep reaction; 1.) CH₂Cl₂, -78 deg C, 2.) CH₂Cl₂;

DOI:10.1016/S0960-894X(98)00037-7

Downstream raw materials:

(S)-N-[2-(3,4-Dichlorophenyl)-3-formylpropyl]-N-methylbenzamide

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