Cyclohexanecarbothioamide, 1-hydroxy-N,N-dimethyl-

Base Information

• Chemical Name: Cyclohexanecarbothioamide, 1-hydroxy-N,N-dimethyl-
• CAS No.: 52417-41-1
• Molecular Formula: C9H17NOS
• Molecular Weight: 187.306
• DSSTox Substance ID: DTXSID00483091
• Wikidata: Q82320086
• Mol file: 52417-41-1.mol

Synonyms:Cyclohexanecarbothioamide, 1-hydroxy-N,N-dimethyl-;52417-41-1;DTXSID00483091

Chemical Property of Cyclohexanecarbothioamide, 1-hydroxy-N,N-dimethyl-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 187.10308534
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=S)C1(CCCCC1)O

Technology Process of Cyclohexanecarbothioamide, 1-hydroxy-N,N-dimethyl-

There total 3 articles about Cyclohexanecarbothioamide, 1-hydroxy-N,N-dimethyl- 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: 53.0%

N,N-dimethylthioformamide (758-16-7) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → N,N-dimethyl-1-hydroxycyclohexanethiocarboxamide (52417-41-1)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; hexane; at -78 ℃; for 2h;

DOI:10.1021/jo00032a051

Reference yield:

1,5-diiodopentane (628-77-3) + 2-Hydroxy-N,N-dimethyl-thioacetamide → N,N-dimethyl-1-hydroxycyclohexanethiocarboxamide (52417-41-1)

Guidance literature:

With potassium hydride; Multistep reaction; 1.) THF, 0 deg C, 2.) 0 deg C, 6 h;

DOI:10.1002/hlca.19800630111

Reference yield:

→ N,N-dimethyl-1-hydroxycyclohexanethiocarboxamide (52417-41-1)

Guidance literature:

Dimethylcarbamoyllithium (3), Cyclohexanon;

upstream raw materials:

N,N-dimethylthioformamide

cyclohexanone

1,5-diiodopentane

Downstream raw materials:

Trifluoro-acetic acid 1-dimethylthiocarbamoyl-cyclohexyl ester

N,N-dimethyl-1-cyclohexenethiocarboxylic amide

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