Pyrrolidine dithiocarbamic acid

Base Information

• Chemical Name: Pyrrolidine dithiocarbamic acid
• CAS No.: 25769-03-3
• Deprecated CAS: 39275-93-9,52057-88-2
• Molecular Formula: C5H9 N S2
• Molecular Weight: 147.265
• Hs Code.: 2933990090
• European Community (EC) Number: 225-834-4
• UNII: RG3HRQ45HY
• DSSTox Substance ID: DTXSID00180437
• Nikkaji Number: J227.689E
• Wikipedia: Pyrrolidine_dithiocarbamate
• Wikidata: Q7263769
• ChEMBL ID: CHEMBL399491
• Mol file: 25769-03-3.mol

Synonyms:ammonium pyrrolidine dithiocarbamate;ammonium tetramethylene dithiocarbamate;pyrrolidine dithiocarbamate;pyrrolidine dithiocarbamic acid;pyrrolidine dithiocarbamic acid, ammonium salt;pyrrolidine dithiocarbamic acid, sodium salt;Pyrrolidinedithiocarbamate

Chemical Property of Pyrrolidine dithiocarbamic acid

Chemical Property:

• Vapor Pressure: 58.6mmHg at 25°C
• Boiling Point: 199.7°Cat760mmHg
• Flash Point: 74.6°C
• PSA: 74.13000
• Density: 1.264g/cm³
• LogP: 1.23480
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.01764164
• Heavy Atom Count: 8
• Complexity: 96.6

Purity/Quality:

99% ^*data from raw suppliers

PYRROLIDINE DITHIOCARBAMIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: C1CCN(C1)C(=S)S

Technology Process of Pyrrolidine dithiocarbamic acid

There total 2 articles about Pyrrolidine dithiocarbamic 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:

pyrrolidine (123-75-1) + carbon disulfide (75-15-0,12122-00-8) → pyrrolidinedithiocarbamate (25769-03-3)

Guidance literature:

With ethanol;

DOI:10.1007/BF01220669

Reference yield:

→ pyrrolidinedithiocarbamate (25769-03-3)

Guidance literature:

Aus Pyrrolidin, CS2;

DOI:10.1016/S0040-4020(01)98371-1

Reference yield: 75.0%

pyrrolidinedithiocarbamate (25769-03-3) + hydroquinone (123-31-9,8027-02-9) → Pyrrolidine-1-carbodithioic acid 2,5-dihydroxy-phenyl ester (53635-91-9)

Guidance literature:

With acetic acid;

DOI:10.1021/ol025522t

upstream raw materials:

pyrrolidine

carbon disulfide

Downstream raw materials:

Pyrrolidine-1-carbodithioic acid (E)-3-furan-2-yl-3-oxo-1-phenyl-propenyl ester

Pyrrolidine-1-carbodithioic acid (E)-4,4,4-trichloro-3-oxo-1-phenyl-but-1-enyl ester

1,1-bis(N,N-tetramethylenedithiocarbamoyl)-3-phenylpropan-3-one

pyrrolidine

Refernces

• 1、 Malissa,Schoeffmann. "-". . p. 187,188. Retrieved 1955.
• 2、 Bhandari, Sonal,Godugu, Chandraiah,Laxmikeshav, Kritika,Panda, Biswajit,Sakla, Akash P.,Shankaraiah, Nagula,Soni, Jay Prakash. "Dithiocarbamation of spiro-aziridine oxindoles: a facile access to C3-functionalised 3-thiooxindoles as apoptosis inducing agents". . p. 10622 - 10634. Retrieved 2021/12/27.