2,4-Dichlorobenzyl imidothiocarbamate hydrochloride

Base Information

• Chemical Name: 2,4-Dichlorobenzyl imidothiocarbamate hydrochloride
• CAS No.: 72214-67-6
• Molecular Formula: C8H8Cl2N2S
• Molecular Weight: 271.598
• Hs Code.: 2930909899
• European Community (EC) Number: 635-681-9
• DSSTox Substance ID: DTXSID30992949
• NSC Number: 35385,33208
• Mol file: 72214-67-6.mol

Synonyms:Rb-Raf-1 disruptor 251;RRD 251;RRD-251;RRD251

Chemical Property of 2,4-Dichlorobenzyl imidothiocarbamate hydrochloride

Chemical Property:

• Vapor Pressure: 6.22E-05mmHg at 25°C
• Boiling Point: 345.3°Cat760mmHg
• Flash Point: 162.6°C
• PSA: 75.17000
• Density: 1.47g/cm³
• LogP: 4.72210
• Storage Temp.: room temp
• Solubility.: DMSO: >10mg/mL
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 269.955203
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

99%min ^*data from raw suppliers

RRD-251 hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)CSC(=N)N.Cl
• Uses: RRD-251 Hydrochloride is a reversible selective disruptor of Rb-Raf-1 interaction.

Technology Process of 2,4-Dichlorobenzyl imidothiocarbamate hydrochloride

There total 3 articles about 2,4-Dichlorobenzyl imidothiocarbamate hydrochloride 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: 98.0%

2,4-Dichlorobenzyl chloride (94-99-5) + thiourea (17356-08-0) → S-(2,4-dichlorobenzyl)isothiourea hydrochloride (72214-67-6)

Guidance literature:

In ethanol; at 100 ℃; for 0.25h; microwave irradiation;

Reference yield:

thiourea (17356-08-0) → S-(2,4-dichlorobenzyl)isothiourea hydrochloride (72214-67-6)

Guidance literature:

In ethanol; at 80 ℃; for 2h;

DOI:10.1016/j.tetlet.2016.11.109

Reference yield:

→ S-(2,4-dichlorobenzyl)isothiourea hydrochloride (72214-67-6)

Guidance literature:

upstream raw materials:

2,4-Dichlorobenzyl chloride

thiourea

Downstream raw materials:

2,4-dichlorobenzyl mercaptan

Refernces

• 1、 Barker, Courtney A.,Allison, Sarah E.,Zlitni, Soumaya,Nguyen, Nick Duc,Das, Rahul,Melacini, Giuseppe,Capretta, Alfredo A.,Brown, Eric D.. "Degradation of MAC13243 and studies of the interaction of resulting thiourea compounds with the lipoprotein targeting chaperone LolA". supporting information. p. 2426 - 2431. Retrieved 2013/05/21.
• 2、 -. "INHIBITION OF CELL PROLIFERATION". Page/Page column 67. . Retrieved 2010/04/06.