4-isothiocyanatobenzamide

Base Information

• Chemical Name: 4-isothiocyanatobenzamide
• CAS No.: 158756-25-3
• Molecular Formula: C8H6N2OS
• Molecular Weight: 178.214
• Hs Code.: 2930909090
• Mol file: 158756-25-3.mol

Synonyms:4-isothiocyanatobenzamide

Chemical Property of 4-isothiocyanatobenzamide

Chemical Property:

• Vapor Pressure: 1.1E-05mmHg at 25°C
• Boiling Point: 370.6°C at 760 mmHg
• PKA: 15.52±0.50(Predicted)
• Flash Point: 177.9°C
• PSA: 87.54000
• Density: 1.27g/cm³
• LogP: 2.22010

Purity/Quality:

98%min ^*data from raw suppliers

4-isothiocyanatobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-isothiocyanatobenzamide

There total 2 articles about 4-isothiocyanatobenzamide 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: 82.0%

thiophosgene (463-71-8) + 4-aminobenzamide (2835-68-9) → 4-isothiocyanato0benzamide (158756-25-3)

Guidance literature:

With sodium hydrogencarbonate; In chloroform; water;

DOI:10.1016/j.bmcl.2010.05.032

Reference yield:

→ 4-isothiocyanato0benzamide (158756-25-3)

Guidance literature:

Reference yield: 81.0%

4-isothiocyanato0benzamide (158756-25-3) + 6-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)quinoline → C26H20N6OS (1239466-29-5)

Guidance literature:

6-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)quinoline; With sodium hydride; In tetrahydrofuran;

4-isothiocyanato0benzamide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2010.05.032

upstream raw materials:

thiophosgene

4-aminobenzamide

Downstream raw materials:

C₂₆H₂₀N₆OS

C₂₆H₂₀N₆OS

C₂₃H₁₈N₈OS

C₁₆H₁₃N₅O₂S

Refernces

• 1、 Dewang, Purushottam M.,Kim, Dae-Kee. "Synthesis and biological evaluation of 2-pyridyl-substituted pyrazoles and imidazoles as transforming growth factor-β type 1 receptor kinase inhibitors". body text. p. 4228 - 4232. Retrieved 2010/08/19.
• 2、 -. "4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases". Example C(102). . Retrieved 2010/11/29.