Pyrrol-2-ylthione

Base Information

• Chemical Name: Pyrrol-2-ylthione
• CAS No.: 21401-55-8
• Molecular Formula: C9H8N2S
• Molecular Weight: 176.242
• Mol file: 21401-55-8.mol

Synonyms:Di-(2-pyrryl)thioketone;2,2'-dipyrryl thioketone;2,2'-dipyrrolylthioketone;2,2'-dipyrrolyl thioketone;di(1H-pyrrol-2-yl)methanethione;bis(1H-pyrrol-2-yl)methanethione;bis(1H-pyrrol-2-yl)-methanethione;

Chemical Property of Pyrrol-2-ylthione

Chemical Property:

• Boiling Point: 409℃
• PKA: 14.29±0.50(Predicted)
• Flash Point: 201℃
• PSA: 63.67000
• Density: 1.334
• LogP: 2.10910

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Pyrrol-2-ylthione

There total 4 articles about Pyrrol-2-ylthione 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: 76.0%

pyrrole (109-97-7,30604-81-0) + thiophosgene (463-71-8) → bis-(1H-pyrrol-2-yl)-methanethione (21401-55-8)

Guidance literature:

pyrrole; thiophosgene; In diethyl ether; toluene; at 0 ℃; for 0.166667h; Inert atmosphere;

With methanol; water; In diethyl ether; toluene; at 20 ℃; for 0.5h;

DOI:10.1016/j.tet.2012.01.091

Reference yield: 45.0%

2,4-dimethyl-3-ethyl-pyrrole (517-22-6) + pyrrole (109-97-7,30604-81-0) + thiophosgene (463-71-8) → C13H16N2S + bis-(1H-pyrrol-2-yl)-methanethione (21401-55-8)

Guidance literature:

In tetrahydrofuran; methanol; at 0 - 20 ℃; for 0.75h; Overall yield = 45 %;

DOI:10.1002/ejoc.201600724

Reference yield: 43.0%

2,4-dimethyl-1H-pyrrole (625-82-1) + pyrrole (109-97-7,30604-81-0) + thiophosgene (463-71-8) → C11H12N2S + bis-(1H-pyrrol-2-yl)-methanethione (21401-55-8)

Guidance literature:

In tetrahydrofuran; methanol; at 0 - 20 ℃; for 0.75h; Overall yield = 72 %;

DOI:10.1002/ejoc.201600724

upstream raw materials:

pyrrole

thiophosgene

2,4-dimethyl-1H-pyrrole

2,4-dimethyl-3-ethyl-pyrrole

Downstream raw materials:

2,2'-dipyrrolylketone

di(pyrrol-2-yl)methane