4-Chloro-N-(2-oxoheptyl)benzamide

Base Information

• Chemical Name: 4-Chloro-N-(2-oxoheptyl)benzamide
• CAS No.: 89007-05-6
• Molecular Formula: C₁₄H₁₈ClNO₂
• Molecular Weight: 267.755
• DSSTox Substance ID: DTXSID40542075
• Wikidata: Q82418603
• Mol file: 89007-05-6.mol

Synonyms:4-Chloro-N-(2-oxoheptyl)benzamide;89007-05-6;SCHEMBL11002757;DTXSID40542075

Chemical Property of 4-Chloro-N-(2-oxoheptyl)benzamide

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 267.1026065
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)CNC(=O)C1=CC=C(C=C1)Cl

Technology Process of 4-Chloro-N-(2-oxoheptyl)benzamide

There total 1 articles about 4-Chloro-N-(2-oxoheptyl)benzamide 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: 70.0%

aminomethyl n-pentyl ketone hydrochloride (89007-04-5) + 4-chloro-benzoyl chloride (122-01-0) → 4-Chloro-N-(2-oxo-heptyl)-benzamide (89007-05-6)

Guidance literature:

With sodium hydrogencarbonate; In water; ethyl acetate; Ambient temperature;

DOI:10.1248/cpb.36.4435

Reference yield: 56.0%

ethyl bromoacetate (105-36-2) + 4-Chloro-N-(2-oxo-heptyl)-benzamide (89007-05-6) → ethyl 3-(4-chlorobenzoylamino)-3-n-caproylpropionate (89006-88-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; -50 deg C, up to 10 deg C;

DOI:10.1248/cpb.36.4435

Reference yield:

4-Chloro-N-(2-oxo-heptyl)-benzamide (89007-05-6) → 2-[2-(4-chlorophenyl)-5-n-pentyl-4-oxazolyl]acetic acid (89006-95-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 56 percent / 61 percent sodium hydride in paraffine / dimethylformamide / -50 deg C, up to 10 deg C

2: 84 percent / phosphoryl chloride / dimethylformamide / 0 deg C then rt.

3: 87 percent / potassium hydroxide / methanol; H₂O / Ambient temperature

With potassium hydroxide; sodium hydride; trichlorophosphate; In methanol; water; N,N-dimethyl-formamide;

DOI:10.1248/cpb.36.4435

upstream raw materials:

aminomethyl n-pentyl ketone hydrochloride

4-chloro-benzoyl chloride

Downstream raw materials:

ethyl 3-(4-chlorobenzoylamino)-3-n-caproylpropionate

2-[2-(4-chlorophenyl)-5-n-pentyl-4-oxazolyl]acetic acid

ethyl 2-[2-(4-chlorophenyl)-5-n-pentyl-4-oxazolyl]acetate