S-Methyl 1-piperidinecarbothioate

Base Information

• Chemical Name: S-Methyl 1-piperidinecarbothioate
• CAS No.: 3012-97-3
• Molecular Formula: C7H13 N O S
• Molecular Weight: 159.252
• NSC Number: 59322
• DSSTox Substance ID: DTXSID50184203
• Nikkaji Number: J1.871.803K
• Wikidata: Q83055084
• Mol file: 3012-97-3.mol

Synonyms:S-Methyl 1-piperidinecarbothioate;3012-97-3;1-Piperidinecarbothioic acid, S-methyl ester;1-Piperidinecarbothioicacid, S-methyl ester;SCHEMBL19480249;DTXSID50184203;NSC59322;NSC 59322;NSC-59322;AKOS015904834;piperidine-1-carbothioic acid S-methyl ester

Chemical Property of S-Methyl 1-piperidinecarbothioate

Chemical Property:

• Vapor Pressure: 0.0353mmHg at 25°C
• Boiling Point: 241.8°C at 760 mmHg
• Flash Point: 100°C
• Density: 1.115g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.07178521
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=O)N1CCCCC1

Technology Process of S-Methyl 1-piperidinecarbothioate

There total 3 articles about S-Methyl 1-piperidinecarbothioate 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:

piperidine (110-89-4) + S-methyl O-(4-nitrophenyl) thiocarbonate → S-methyl 1-piperidinecarbothioate (3012-97-3) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0)

Guidance literature:

With potassium chloride; In ethanol; water; at 25 ℃; Concentration; Solvent; Kinetics;

DOI:10.1002/kin.20562

Reference yield:

piperidine (110-89-4) + O-(2,4-dinitrophenyl) S-methyl thiocarbonate (6132-46-3) → S-methyl 1-piperidinecarbothioate (3012-97-3) + 2,4-Dinitrophenol (51-28-5)

Guidance literature:

With potassium chloride; In ethanol; water; at 25 ℃; Concentration; Solvent; Kinetics;

DOI:10.1002/kin.20562

Reference yield:

piperidine (110-89-4) + methyl thiochloroformate (18369-83-0) → S-methyl 1-piperidinecarbothioate (3012-97-3) + methylthiol (74-93-1) + carbon dioxide (124-38-9,18923-20-1)

Guidance literature:

With borate buffer; potassium chloride; In acetonitrile; at 25 ℃; pH=8.0; Further Variations:; pH-values; Kinetics;

DOI:10.1016/j.tet.2006.03.013

upstream raw materials:

piperidine

methyl thiochloroformate

O-(2,4-dinitrophenyl) S-methyl thiocarbonate

Refernces

• 1、 Castro, Enrique A.,Aliaga, Margarita,Gazitúa, Marcela,Santos, José G.. "Kinetics and mechanisms of the reactions of S-methyl chlorothioformate with pyridines and secondary alicyclic amines". . p. 4863 - 4869. Retrieved 2007/10/03.