methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate

Base Information

• Chemical Name: methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
• CAS No.: 67497-51-2
• Molecular Formula: C₁₀H₁₀N₂O₂S
• Molecular Weight: 222.268
• NSC Number: 190680
• DSSTox Substance ID: DTXSID00307309
• Wikidata: Q27165770

Synonyms:67497-51-2;methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate;2-(1H-benzimidazol-2-ylthio)acetic acid methyl ester;methyl 2-(1H-benzoimidazol-2-ylsulfanyl)acetate;methyl (1H-benzimidazol-2-ylsulfanyl)acetate;NSC190680;BAS 00687448;Maybridge4_001930;CHEBI:94018;DTXSID00307309;HMS1526H16;CCG-48179;STK829788;AKOS000593528;NSC-190680;methyl (1H-benzimidazol-2-ylthio)acetate;Methyl [(1H-benzimidazol-2-yl)sulfanyl]acetate;SR-01000637743-1;BRD-K37727696-001-01-7;Q27165770

Chemical Property of methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate

Chemical Property:

• Vapor Pressure: 1.48E-06mmHg at 25°C
• Boiling Point: 398.4°Cat760mmHg
• Flash Point: 194.8°C
• Density: 1.36g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 222.04629874
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CSC1=NC2=CC=CC=C2N1

Technology Process of methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate

There total 2 articles about methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate 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:

bromoacetic acid methyl ester (96-32-2) + Benzimidazol-2-thiol (134469-07-1) → methyl ester of 2-(2-benzimidazolylthio)acetic acid (67497-51-2)

Guidance literature:

With potassium carbonate; In methanol; Yield given; Heating;

DOI:10.1002/jhet.5570220525

Reference yield:

methyl chloroacetate (96-34-4) → methyl ester of 2-(2-benzimidazolylthio)acetic acid (67497-51-2)

Guidance literature:

With ethanol;

Reference yield: 60.0%

methyl ester of 2-(2-benzimidazolylthio)acetic acid (67497-51-2) + 4-bromobenzoic acid hydrazide (5933-32-4) → 4-bromo-benzoic acid N'-[2-(1H-benzoimidazol-2-ylsulfanyl)-propionyl]-hydrazide

Guidance literature:

triethylamine; In isopropyl alcohol; for 3h; Heating;

DOI:10.1007/BF02464123

upstream raw materials:

bromoacetic acid methyl ester

Benzimidazol-2-thiol

methyl chloroacetate

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