Acetamide, N,N-diethyl-2-(phenylthio)-

Base Information

• Chemical Name: Acetamide, N,N-diethyl-2-(phenylthio)-
• CAS No.: 53136-40-6
• Molecular Formula: C12H17NOS
• Molecular Weight: 223.339
• DSSTox Substance ID: DTXSID40357186
• Nikkaji Number: J434.244E
• Wikidata: Q82136978
• Mol file: 53136-40-6.mol

Synonyms:53136-40-6;Acetamide, N,N-diethyl-2-(phenylthio)-;Cambridge id 6218296;DTXSID40357186;AKOS008908594;N,N-diethyl-2-(phenylsulfanyl)acetamide;Z19750820

Chemical Property of Acetamide, N,N-diethyl-2-(phenylthio)-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 223.10308534
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)CSC1=CC=CC=C1

Technology Process of Acetamide, N,N-diethyl-2-(phenylthio)-

There total 7 articles about Acetamide, N,N-diethyl-2-(phenylthio)- 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: 94.0%

thiophenol (108-98-5) + N,N-diethyl-3-oxobutanamide (2235-46-3) → N,N-diethyl-2-(phenylthio)acetamide (53136-40-6)

Guidance literature:

With oxygen; sodium hydroxide; In acetonitrile; at 22 - 25 ℃; for 18h;

DOI:10.1039/c7cc09026a

Reference yield: 81.0%

2-bromo-N,N-diethylacetamide (2430-01-5) + thiophenol (108-98-5) → N,N-diethyl-2-(phenylthio)acetamide (53136-40-6)

Guidance literature:

thiophenol; With sodium; In ethanol; for 0.0833333h;

2-bromo-N,N-diethylacetamide; In ethanol; at 0 - 20 ℃;

DOI:10.1016/j.saa.2013.06.118

Reference yield: 41.0%

(phenylthio)acetic acid chloride (7031-27-8) + diethylamine (109-89-7) → N,N-diethyl-2-(phenylthio)acetamide (53136-40-6)

Guidance literature:

With pyridine; In dichloromethane; at 0 ℃; for 4h; Inert atmosphere;

DOI:10.1039/d0cc00016g

upstream raw materials:

2-bromo-N,N-diethylacetamide

thiophenol

N,N-diethyl-3-oxobutanamide

ethyl phenylsulfenylacetate

Downstream raw materials:

N,N-Diethyl-2-methoxy-2-phenylsulfanyl-acetamide

2-Ethoxy-N,N-diethyl-2-phenylsulfanyl-acetamide

N,N-diethyl-2-phenylsulfonylacetamide