2-chloro-N-(3,4-dichlorobenzyl)acetamide

Base Information

• Chemical Name: 2-chloro-N-(3,4-dichlorobenzyl)acetamide
• CAS No.: 56978-46-2
• Molecular Formula: C₉H₈Cl₃NO
• Molecular Weight: 252.528
• DSSTox Substance ID: DTXSID001235927
• Mol file: 56978-46-2.mol

Synonyms:2-chloro-N-(3,4-dichlorobenzyl)acetamide;56978-46-2;2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide;SCHEMBL4035255;DTXSID001235927;BBL017833;MFCD03362899;STK483418;AKOS003237306;VS-06532;CS-0317616;Acetamide, 2-chloro-N-[(3,4-dichlorophenyl)methyl]-;Z1269121260

Chemical Property of 2-chloro-N-(3,4-dichlorobenzyl)acetamide

Chemical Property:

• Melting Point: 105-106 °C
• Boiling Point: 426.2±45.0 °C(Predicted)
• PKA: 13.00±0.46(Predicted)
• Density: 1.403±0.06 g/cm3(Predicted)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 250.967147
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-N-(3,4-dichlorobenzyl)acetamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CNC(=O)CCl)Cl)Cl

Technology Process of 2-chloro-N-(3,4-dichlorobenzyl)acetamide

There total 3 articles about 2-chloro-N-(3,4-dichlorobenzyl)acetamide 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:

2-(3,4-dichlorobenzyl)isoindoline-1,3-dione (108011-92-3) → 2-chloro-N-(3,4-dichlorobenzyl) acetamide (56978-46-2)

Guidance literature:

Multi-step reaction with 2 steps

1: N₂H₄+H₂O; methanol

2: aq. NaOH solution

With methanol; sodium hydroxide; hydrazine hydrate;

DOI:10.1021/ja01592a061

Reference yield:

3,4-Dichlorophenylmethyl chloride (102-47-6) → 2-chloro-N-(3,4-dichlorobenzyl) acetamide (56978-46-2)

Guidance literature:

Multi-step reaction with 3 steps

1: dimethylformamide

2: N₂H₄+H₂O; methanol

3: aq. NaOH solution

With methanol; sodium hydroxide; hydrazine hydrate; N,N-dimethyl-formamide;

DOI:10.1021/ja01592a061

Reference yield:

→ 2-chloro-N-(3,4-dichlorobenzyl) acetamide (56978-46-2)

Guidance literature:

Chloressigsaeure, 1. Keten, 2. 3,4-Dichlorbenzylamin;

upstream raw materials:

2-(3,4-dichlorobenzyl)isoindoline-1,3-dione

3,4-Dichlorophenylmethyl chloride