7-methylsulfanyl-N-phenylheptanamide

Base Information

• Chemical Name: 7-methylsulfanyl-N-phenylheptanamide
• CAS No.: 728890-41-3
• Molecular Formula: C14H21NOS
• Molecular Weight: 251.393
• ChEMBL ID: CHEMBL111805
• DSSTox Substance ID: DTXSID60466966
• Wikidata: Q82293672
• Mol file: 728890-41-3.mol

Synonyms:CHEMBL111805;7-Methylsulfanyl-heptanoic acid phenylamide;7-methylsulfanyl-N-phenylheptanamide;728890-41-3;DTXSID60466966;BDBM50223649

Chemical Property of 7-methylsulfanyl-N-phenylheptanamide

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 251.13438547
• Heavy Atom Count: 17
• Complexity: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCCCCCC(=O)NC1=CC=CC=C1

Technology Process of 7-methylsulfanyl-N-phenylheptanamide

There total 5 articles about 7-methylsulfanyl-N-phenylheptanamide 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: 99.0%

sodium thiomethoxide (5188-07-8) + 7-bromoheptanoic acid phenylamide (142326-26-9) → 7-methylsulfanylheptanoic acid phenylamide (728890-41-3)

Guidance literature:

In ethanol; water; at 20 ℃;

DOI:10.1016/j.bmcl.2004.03.063 DOI:10.1016/j.bmcl.2004.10.074

Reference yield:

7-bromoheptanoyl chloride (50733-91-0) → 7-methylsulfanylheptanoic acid phenylamide (728890-41-3)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / CH₂Cl₂ / 1 h / 20 °C

2: 99 percent / ethanol; H₂O / 5 h / 20 °C

With triethylamine; In ethanol; dichloromethane; water;

DOI:10.1016/j.bmc.2005.04.002

Reference yield:

7-bromoheptanoic acid (30515-28-7) → 7-methylsulfanylheptanoic acid phenylamide (728890-41-3)

Guidance literature:

Multi-step reaction with 3 steps

1: oxalyl chloride; DMF / CH₂Cl₂ / 2 h / 20 °C

2: triethylamine / CH₂Cl₂ / 1 h / 20 °C

3: 99 percent / ethanol; H₂O / 5 h / 20 °C

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In ethanol; dichloromethane; water;

DOI:10.1016/j.bmc.2005.04.002

upstream raw materials:

sodium thiomethoxide

7-bromoheptanoic acid phenylamide

7-bromoheptanoic acid

ethyl 7-bromoheptanoate