4-methylpiperidine-1-carbodithioic Acid

Base Information

• Chemical Name: 4-methylpiperidine-1-carbodithioic Acid
• CAS No.: 45798-02-5
• Molecular Formula: C7H13NS2
• Molecular Weight: 175.319
• DSSTox Substance ID: DTXSID00284181
• Nikkaji Number: J308.230J
• Wikidata: Q82019022
• Mol file: 45798-02-5.mol

Synonyms:45798-02-5;4-methylpiperidine-1-carbodithioic Acid;4-Methyl-1-piperidinecarbodithioic acid;DTXSID00284181;4-Methylpiperidine-1-dithiocarboxylic acid

Chemical Property of 4-methylpiperidine-1-carbodithioic Acid

Chemical Property:

• PSA: 74.13000
• LogP: 1.87090
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 175.04894177
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(CC1)C(=S)S

Technology Process of 4-methylpiperidine-1-carbodithioic Acid

There total 1 articles about 4-methylpiperidine-1-carbodithioic Acid 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: 95.0%

4-methylpiperidin (626-58-4) + carbon disulfide (75-15-0,12122-00-8) → 4-methyl-1-piperidine dithiocarboxylic acid (45798-02-5)

Guidance literature:

In methanol; at 20 ℃;

DOI:10.1134/S1070328410040123

Reference yield: 90.0%

4-methyl-1-piperidine dithiocarboxylic acid (45798-02-5) + diphenyltin(IV) dichloride (1135-99-5) → Ph2SnCl(4-methyl-1-piperidine carbodithioate) (886458-43-1)

Guidance literature:

With (CH₃CH₂)3N; In toluene; (C6H5)2SnCl2, 4-methyl-1-piperidine carbodithioic acid, (CH3CH2)3N addedto toluene at room temp., refluxed for 4 h; filtered, evapd. under reduced pressure, recrystd. from chloroform/hexane; elem. anal.;

DOI:10.1016/j.jorganchem.2005.12.004

Reference yield: 81.0%

bis-triphenylphosphine-palladium(II) chloride (13965-03-2) + 4-methyl-1-piperidine dithiocarboxylic acid (45798-02-5) → [Pd(4-methylpiperidinedithiocarbamate)(triphenylphosphine)Cl] (898819-63-1)

Guidance literature:

In dichloromethane; PdCl2(PPh3)2 (1.14 mmol) suspended in CH2Cl2, soln. of 4MPipDTC (1.14 mmol) in CH2Cl2 added at 40°C, refluxed for 1 h, cooled to room temp.; solvent removed in vacuo, recrystd. (CH2Cl2/hexane (3:1)); elem. anal.;

DOI:10.1016/j.jorganchem.2009.10.048

upstream raw materials:

4-methylpiperidin

carbon disulfide

Downstream raw materials:

Ph₂SnCl(4-methyl-1-piperidine carbodithioate)

4-methylpiperidin

carbon disulfide

[Pd(4-methylpiperidinedithiocarbamate)(triphenylphosphine)Cl]

Refernces

• 1、 Khan,Ali,Shahzadi,Sharma,Qanungo. "Synthesis, spectroscopy, semiempirical, phytotoxicity, antibacterial, antifungal, and cytotoxicity of diorganotin(IV) complex derived from Bu 2Sn(Acac)2 and 4-methyl-1-piperidinecarbodithioic acid". . p. 310 - 316. Retrieved 2010.