(4-Hydroxyphenyl)dithiocarbamic acid, triethylamine salt

Base Information

• Chemical Name: (4-Hydroxyphenyl)dithiocarbamic acid, triethylamine salt
• CAS No.: 62812-90-2
• Molecular Formula: C13H22N2OS2
• Molecular Weight: 286.462
• DSSTox Substance ID: DTXSID3069649
• Mol file: 62812-90-2.mol

Synonyms:(4-Hydroxyphenyl)dithiocarbamic acid, triethylamine salt;62812-90-2;C7H7NOS2.C6H15N;DTXSID3069649;C7-H7-N-O-S2.C6-H15-N

Chemical Property of (4-Hydroxyphenyl)dithiocarbamic acid, triethylamine salt

Chemical Property:

• Vapor Pressure: 0.000203mmHg at 25°C
• Boiling Point: 317.7°C at 760 mmHg
• Flash Point: 145.9°C
• PSA: 106.39000
• LogP: 3.43990
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 286.11735568
• Heavy Atom Count: 18
• Complexity: 169

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CC.C1=CC(=CC=C1NC(=S)S)O

Technology Process of (4-Hydroxyphenyl)dithiocarbamic acid, triethylamine salt

There total 2 articles about (4-Hydroxyphenyl)dithiocarbamic acid, triethylamine salt 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: 99.0%

carbon disulfide (75-15-0,12122-00-8) + 4-amino-phenol (123-30-8) + triethylamine (121-44-8) → triethylamine (4-hydroxyphenyl)carbamodithioate (62812-90-2)

Guidance literature:

at 0 - 20 ℃;

Reference yield:

→ triethylamine (4-hydroxyphenyl)carbamodithioate (62812-90-2)

Guidance literature:

Reference yield: 94.0%

triethylamine (4-hydroxyphenyl)carbamodithioate (62812-90-2) → 4-hydroxyphenyl isothiocyanate (2131-60-4)

Guidance literature:

With sodium persulfate; potassium carbonate; In water; at 20 ℃; for 1h; chemoselective reaction; Green chemistry;

DOI:10.1039/c8gc02261e

upstream raw materials:

carbon disulfide

4-amino-phenol

triethylamine

Downstream raw materials:

4-hydroxyphenyl isothiocyanate

1-(4-hydroxyphenyl)thiourea

(4-hydroxyphenyl)cyanamide

Refernces

• 1、 Fortunato, Serena,Lenzi, Chiara,Granchi, Carlotta,Citi, Valentina,Martelli, Alma,Calderone, Vincenzo,Di Pietro, Sebastiano,Signore, Giovanni,Di Bussolo, Valeria,Minutolo, Filippo. "First Examples of H2S-Releasing Glycoconjugates: Stereoselective Synthesis and Anticancer Activities". . p. 614 - 620. Retrieved 2019/03/26.
• 2、 Jamir, Latonglila,Alimenla,Kumar, Anil,Sinha, Dipak,Sinha, Upasana B.. "Synthesis and reactivity studies of a new reagent, ethyltriphenylphosphonium tribromide". experimental part. p. 147 - 155. Retrieved 2011/03/17.