N-(4-Chlorophenyl)-gamma-oxobenzenebutanamide

Base Information

• Chemical Name: N-(4-Chlorophenyl)-gamma-oxobenzenebutanamide
• CAS No.: 38752-55-5
• Molecular Formula: C₁₆H₁₄ClNO₂
• Molecular Weight: 287.746
• DSSTox Substance ID: DTXSID601272925

Synonyms:DTXSID601272925;AKOS008480079;N-(4-Chlorophenyl)-gamma-oxobenzenebutanamide;38752-55-5

Chemical Property of N-(4-Chlorophenyl)-gamma-oxobenzenebutanamide

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 287.0713064
• Heavy Atom Count: 20
• Complexity: 331

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl

Technology Process of N-(4-Chlorophenyl)-gamma-oxobenzenebutanamide

There total 2 articles about N-(4-Chlorophenyl)-gamma-oxobenzenebutanamide 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:

4-chloro-aniline (106-47-8) + succinylbenzene (2051-95-8) → N-p-chlorophenyl-4-oxo-4-phenylbutanamide (38752-55-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In dichloromethane; at 20 ℃; for 0.333333h;

DOI:10.1016/j.bmcl.2010.04.055

Reference yield:

→ N-p-chlorophenyl-4-oxo-4-phenylbutanamide (38752-55-5)

Guidance literature:

Reference yield: 37.0%

N-p-chlorophenyl-4-oxo-4-phenylbutanamide (38752-55-5) → 5-benzoyl-4-chloro-2-p-chlorophenyl-3-isothiazolinone (81470-59-9)

Guidance literature:

With pyridine; thionyl chloride; for 2h; Heating;

DOI:10.1016/S0040-4020(01)98885-4

upstream raw materials:

4-chloro-aniline

succinylbenzene

Downstream raw materials:

5-benzoyl-2-p-chlorophenyl-3-isothiazolinone

5-benzoyl-4-chloro-2-p-chlorophenyl-3-isothiazolinone

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