2-Chloro-N-{3-[(2-chlorophenyl)(hydroxy)methyl]thiophen-2-yl}acetamide

Base Information

• Chemical Name: 2-Chloro-N-{3-[(2-chlorophenyl)(hydroxy)methyl]thiophen-2-yl}acetamide
• CAS No.: 62551-66-0
• Molecular Formula: C₁₃H₁₁Cl₂NO₂S
• Molecular Weight: 316.208
• European Community (EC) Number: 613-058-2
• DSSTox Substance ID: DTXSID50525899
• Mol file: 62551-66-0.mol

Synonyms:62551-66-0;SCHEMBL11486996;DTXSID50525899;2-Chloro-N-{3-[(2-chlorophenyl)(hydroxy)methyl]thiophen-2-yl}acetamide

Chemical Property of 2-Chloro-N-{3-[(2-chlorophenyl)(hydroxy)methyl]thiophen-2-yl}acetamide

Chemical Property:

• Vapor Pressure: 1.25E-12mmHg at 25°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 314.9887552
• Heavy Atom Count: 19
• Complexity: 319

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(C2=C(SC=C2)NC(=O)CCl)O)Cl

Technology Process of 2-Chloro-N-{3-[(2-chlorophenyl)(hydroxy)methyl]thiophen-2-yl}acetamide

There total 1 articles about 2-Chloro-N-{3-[(2-chlorophenyl)(hydroxy)methyl]thiophen-2-yl}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-(2-chloro-acetylamino)-thiophen-3-yl]-(2-chloro-phenyl)-methanol (62551-66-0)

Guidance literature:

Thiophen 17, NaBH4;

Reference yield:

[2-(2-chloro-acetylamino)-thiophen-3-yl]-(2-chloro-phenyl)-methanol (62551-66-0) → 5-(2-chloro-phenyl)-1,5-dihydro-thieno[2,3-e][1,4]oxazepin-2-one (62551-58-0)

Guidance literature:

With sodium isopropylate; In isopropyl alcohol;

Reference yield:

[2-(2-chloro-acetylamino)-thiophen-3-yl]-(2-chloro-phenyl)-methanol (62551-66-0) → 7-chloro-5-(2-chloro-phenyl)-1,5-dihydro-thieno[2,3-e][1,4]oxazepin-2-one (62551-63-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOiPr / propan-2-ol

2: SO₂Cl₂ / acetic acid / Ambient temperature

With sulfuryl dichloride; sodium isopropylate; In acetic acid; isopropyl alcohol;

Downstream raw materials:

5-(2-chloro-phenyl)-1,5-dihydro-thieno[2,3-e][1,4]oxazepin-2-one

7-chloro-5-(2-chloro-phenyl)-1,5-dihydro-thieno[2,3-e][1,4]oxazepin-2-one

7-bromo-5-(2-chloro-phenyl)-1,5-dihydro-thieno[2,3-e][1,4]oxazepin-2-one