5-Chloro-N-[2-(cyanomethyl)-4-methoxyphenyl]pentanamide

Base Information

• Chemical Name: 5-Chloro-N-[2-(cyanomethyl)-4-methoxyphenyl]pentanamide
• CAS No.: 109049-83-4
• Molecular Formula: C14H17ClN2O2
• Molecular Weight: 280.754
• DSSTox Substance ID: DTXSID40547101
• Wikidata: Q82425124

Synonyms:109049-83-4;5-CHLORO-N-[2-(CYANOMETHYL)-4-METHOXYPHENYL]PENTANAMIDE;DTXSID40547101

Chemical Property of 5-Chloro-N-[2-(cyanomethyl)-4-methoxyphenyl]pentanamide

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 280.0978555
• Heavy Atom Count: 19
• Complexity: 327

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)NC(=O)CCCCCl)CC#N

Technology Process of 5-Chloro-N-[2-(cyanomethyl)-4-methoxyphenyl]pentanamide

There total 1 articles about 5-Chloro-N-[2-(cyanomethyl)-4-methoxyphenyl]pentanamide 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: 89.0%

5-Chlorovaleroyl chloride (1575-61-7) + (2-amino-5-methoxyphenyl)-acetonitrile (90557-38-3) → 5-Chloro-pentanoic acid (2-cyanomethyl-4-methoxy-phenyl)-amide (109049-83-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1016/S0040-4020(01)88057-1

Reference yield: 83.0%

5-Chloro-pentanoic acid (2-cyanomethyl-4-methoxy-phenyl)-amide (109049-83-4) → [5-Methoxy-2-(2-oxo-piperidin-1-yl)-phenyl]-acetonitrile (109049-88-9)

Guidance literature:

With sodium amide; In ammonia;

DOI:10.1016/S0040-4020(01)88057-1

upstream raw materials:

5-Chlorovaleroyl chloride

(2-amino-5-methoxyphenyl)-acetonitrile

Downstream raw materials:

[5-Methoxy-2-(2-oxo-piperidin-1-yl)-phenyl]-acetonitrile

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