Bemethyl

Base Information

• Chemical Name: Bemethyl
• CAS No.: 63513-71-3
• Molecular Formula: C₉H₁₀N₂S
• Molecular Weight: 178.258
• UNII: TG4SAK8A5M
• DSSTox Substance ID: DTXSID00212924
• Wikipedia: Bemethyl
• Mol file: 63513-71-3.mol

Synonyms:2-ethylthiobenzimidazole hydrobromide;bemethyl;bemetil;bemithyl;bemitil;bemythyl;ethylthiobenzimidazole;Metaprot

Chemical Property of Bemethyl

Chemical Property:

• PSA: 53.98000
• LogP: 3.63300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 257.98263
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=NC2=CC=CC=C2N1.Br
• Use Description: Bemethyl, also known as Pyridinolcarbamate, serves various purposes in different fields. In the medical field, it has been used as a vasodilator and coronary vasodilator to improve blood circulation, making it valuable in the treatment of cardiovascular conditions like angina pectoris. Additionally, Bemethyl has found applications in the field of pharmacology, where it is utilized as a cholinesterase inhibitor, aiding in the management of conditions related to acetylcholine imbalances. Beyond healthcare, Bemethyl has also been employed in the research field, particularly in studies related to neurochemistry and neurotransmission. Its diverse uses highlight its significance in both medical and scientific contexts, contributing to advancements in cardiovascular care and neuropharmacology research.

Technology Process of Bemethyl

There total 11 articles about Bemethyl 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: 94.0%

2,3-dihydrobenzimidazol-2-thione (583-39-1,2080-59-3) + ethyl bromide (74-96-4) → 2-(ethylsulfanyl)-1H-benzimidazole (14610-11-8,63513-71-3)

Guidance literature:

With sodium hydroxide; In isopropyl alcohol; at 40 ℃; for 1h; Cooling;

DOI:10.1007/s10593-014-1623-z

Reference yield: 94.0%

Benzimidazol-2-thiol (134469-07-1) → 2-(ethylsulfanyl)-1H-benzimidazole (14610-11-8,63513-71-3)

Guidance literature:

With sodium hydroxide; Amberlite IRA-400 chloride form; In water; acetone;

DOI:10.1080/00304940509354982

Reference yield: 85.0%

2,3-dihydrobenzimidazol-2-thione (583-39-1,2080-59-3) + ethanol (64-17-5) → 2-(ethylsulfanyl)-1H-benzimidazole (14610-11-8,63513-71-3)

Guidance literature:

With hydrogenchloride; for 2h; Heating;

DOI:10.1007/BF00508677

upstream raw materials:

2,3-dihydrobenzimidazol-2-thione

ethyl iodide

ethanol

timoprazole

Refernces

• 1、 Yousaf, Muhammad,Khan, Momin,Ali, Mumtaz,Wadood, Abdul,Rehman, Ashfaq Ur,Jan, Muhammad Saeed,Sadiq, Abdul,Alam, Faima. "2-Mercaptobenzimidazole derivatives as novel butyrylcholinesterase inhibitors: Biology-oriented drug synthesis (BIODS), in-vitro and in-silico evaluation". . p. 263 - 273. Retrieved 2021/01/20.
• 2、 Bespalov,Gorchakova,Ivanov,Kuznetsov,Kuznetsova,Pankova,Prokopenko,Avdontceva. "Alkylation and Aminomethylation of 1,3-Dihydro-2H-Benzimidazole-2-Thione". . p. 1547 - 1558. Retrieved 2015/02/19.