2-(Butylamino)cyclopent-1-ene-1-carbodithioic acid

Base Information

• Chemical Name: 2-(Butylamino)cyclopent-1-ene-1-carbodithioic acid
• CAS No.: 34281-27-1
• Molecular Formula: C10H17NS2
• Molecular Weight: 215.3787
• UNII: YX4PQ43RU6
• DSSTox Substance ID: DTXSID90955838
• Nikkaji Number: J413.640C
• Wikidata: Q82935608
• Mol file: 34281-27-1.mol

Synonyms:M 16 (pharmaceutical);34281-27-1;YX4PQ43RU6;2-(BUTYLAMINO)CYCLOPENT-1-ENE-1-CARBODITHIOIC ACID;UNII-YX4PQ43RU6;M 16;1-Cyclopentene-1-carbodihioic acid, 2-(butylamino)-;2-(butylamino)cyclopentene-1-carbodithioic acid;DTXSID90955838;1-Cyclopentene-1-carbodithioic acid, 2-(butylamino)-

Chemical Property of 2-(Butylamino)cyclopent-1-ene-1-carbodithioic acid

Chemical Property:

• Vapor Pressure: 0.000621mmHg at 25°C
• Boiling Point: 309.9°Cat760mmHg
• Flash Point: 141.2°C
• PSA: 82.92000
• Density: 1.1g/cm³
• LogP: 3.46220
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 215.08024189
• Heavy Atom Count: 13
• Complexity: 221

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC1=C(CCC1)C(=S)S

Technology Process of 2-(Butylamino)cyclopent-1-ene-1-carbodithioic acid

There total 2 articles about 2-(Butylamino)cyclopent-1-ene-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:

carbon disulfide (75-15-0,12122-00-8) + butyl-cyclopentyliden-amine (6407-38-1) → 2-N-(n-butylamino)cyclopentene-1-dithiocarboxylic acid (34281-27-1)

Guidance literature:

In acetone;

Reference yield:

→ 2-N-(n-butylamino)cyclopentene-1-dithiocarboxylic acid (34281-27-1)

Guidance literature:

entspr. Amin (I,...NH2), n-Butylamin, CH3OH, Δ;

DOI:10.1021/jo00976a011

Reference yield: 92.0%

2-N-(n-butylamino)cyclopentene-1-dithiocarboxylic acid (34281-27-1) + diphenylantimony(III) acetate (5613-52-5) → diphenylantimony(III)-2-n-butylaminocyclopentene-1-carbodithioate (132609-10-0)

Guidance literature:

With sodium; In tetrahydrofuran; byproducts: sodium acetate; anhydrous conditions; dissolving Na in a mixt. of methanol and benzene; adding 2-butylaminocyclopentene-1-carbodithioic acid; refluxing for 5 h; cooling; replacing solvent by THF; adding THF soln. of Ph2SbCOOMe; refluxing for 5 h; filtration; removal of solvent from the filtrate under reduced pressure; recrystn. from chloroform-pet.ether; elem. anal.;

upstream raw materials:

carbon disulfide

butyl-cyclopentyliden-amine

Downstream raw materials:

diphenylantimony(III)-2-n-butylaminocyclopentene-1-carbodithioate

[Ru(C₁₀H₁₆NS₂)2(P(C₆H₅)3)2]

Refernces