N-Benzyl-N-(cyclohex-1-en-1-yl)acetamide

Base Information

• Chemical Name: N-Benzyl-N-(cyclohex-1-en-1-yl)acetamide
• CAS No.: 85031-42-1
• Molecular Formula: C15H19NO
• Molecular Weight: 229.31700
• DSSTox Substance ID: DTXSID00511101
• Nikkaji Number: J1.258.832A
• Wikidata: Q72459800
• Mol file: 85031-42-1.mol

Synonyms:85031-42-1;N-Benzyl-N-(cyclohex-1-en-1-yl)acetamide;N-benzyl-n-(cyclohexen-1-yl)acetamide;DTXSID00511101;AC-28811

Chemical Property of N-Benzyl-N-(cyclohex-1-en-1-yl)acetamide

Chemical Property:

• Melting Point: 50.5-51℃
• Refractive Index: 1.4160 (20℃)
• PSA: 20.31000
• LogP: 3.49300
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 229.146664230
• Heavy Atom Count: 17
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(CC1=CC=CC=C1)C2=CCCCC2

Technology Process of N-Benzyl-N-(cyclohex-1-en-1-yl)acetamide

There total 20 articles about N-Benzyl-N-(cyclohex-1-en-1-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: 78.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + acetyl chloride (75-36-5) + benzyl azide (622-79-7) → N-benzyl-N-(cyclohex-1-enyl)acetamide (85031-42-1)

Guidance literature:

benzyl azide; With triphenylphosphine; In xylene; at 20 ℃; for 1h;

cyclohexanone; In xylene; at 150 ℃; for 0.5h; microwave irradiation;

acetyl chloride; With pyridine; In xylene; at 0 - 20 ℃;

DOI:10.1021/ol0501323

Reference yield: 76.0%

N-benzyl-2-chloro-N-(cyclohex-1-en-1-yl)acetamide (32495-49-1) → N-benzyl-N-(cyclohex-1-enyl)acetamide (85031-42-1)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane; In toluene; for 4h; Heating;

DOI:10.1021/jo020007u

Reference yield: 70.0%

N-benzylcyclohexylimine (4471-09-4) + acetyl chloride (75-36-5) → N-benzyl-N-(cyclohex-1-enyl)acetamide (85031-42-1)

Guidance literature:

With pyridine; In benzene; for 1h; Ambient temperature;

upstream raw materials:

N-benzylcyclohexylimine

acetyl chloride

N-benzyl-N-(cyclohex-1-enyl)-2-iodoacetamide

N-benzyl-2-chloro-N-(cyclohex-1-en-1-yl)acetamide

Downstream raw materials:

N-benzyl-2,2,2-trichloro-N-(cyclohexen-1-yl)acetamide

C₁₂H₁₃ClS

2-chloro-5,6,7,8-tetrahydroquinolin-8-one

2-chloro-8-hydroxy-5,6,7,8-tetrahydroquinoline

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