Methyl pyrrolidine-1-carbodithioate

Base Information

• Chemical Name: Methyl pyrrolidine-1-carbodithioate
• CAS No.: 695-83-0
• Molecular Formula: C₆H₁₁NS₂
• Molecular Weight: 161.292
• DSSTox Substance ID: DTXSID10505576
• Nikkaji Number: J2.155.932F
• Wikidata: Q82360795
• Mol file: 695-83-0.mol

Synonyms:Methyl pyrrolidine-1-carbodithioate;695-83-0;SCHEMBL9972665;DTXSID10505576;AKOS000278366

Chemical Property of Methyl pyrrolidine-1-carbodithioate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.03329170
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSC(=S)N1CCCC1

Technology Process of Methyl pyrrolidine-1-carbodithioate

There total 1 articles about Methyl pyrrolidine-1-carbodithioate 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: 67.0%

C14H26NS2(1+)*FO3S(1-) → 1-pyrrolidinecarbodithioate methyl ester (695-83-0) + (E)-1-bromo-oct-2-ene (56318-83-3)

Guidance literature:

With sodium bromide; In N,N-dimethyl-formamide; for 48h; Ambient temperature;

DOI:10.1055/s-1980-29232

Reference yield:

1-pyrrolidinecarbodithioate methyl ester (695-83-0) → 5-methyl-4-(methylsulfanyl-pyrrolidino-methylene)-2-phenyl-2,4-dihydro-pyrazol-3-one

Guidance literature:

Multi-step reaction with 2 steps

1: Behandeln des Reaktionsgemisches mit wss. Natriumperchlorat-Loesung_.

2: pyridine; triethylamine

With pyridine; triethylamine;

Refernces