Methyl 5,6-dichloro-1h-benzo[d]imidazol-2-ylcarbamate

Base Information

• Chemical Name: Methyl 5,6-dichloro-1h-benzo[d]imidazol-2-ylcarbamate
• CAS No.: 41196-04-7
• Molecular Formula: C9H7Cl2N3O2
• Molecular Weight: 260.0768
• NSC Number: 109881
• DSSTox Substance ID: DTXSID50961495
• Nikkaji Number: J1.772.013I
• Wikidata: Q82942932
• ChEMBL ID: CHEMBL71807
• Mol file: 41196-04-7.mol

Synonyms:41196-04-7;methyl 5,6-dichloro-1h-benzo[d]imidazol-2-ylcarbamate;NSC109881;CHEMBL71807;DTXSID50961495;METHYL5,6-DICHLORO-1H-BENZO[D]IMIDAZOL-2-YLCARBAMATE;NSC-109881;methyl (5,6-dichloro-1h-benzimidazol-2-yl)carbamate;2-Benzimidazolecarbamic acid,6-dichloro-, methyl ester;Methyl (5,6-dichloro-1H-benzo[d]imidazol-2-yl)carbamate;Methyl hydrogen (5,6-dichloro-1H-benzimidazol-2-yl)carbonimidate

Chemical Property of Methyl 5,6-dichloro-1h-benzo[d]imidazol-2-ylcarbamate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 67.01000
• Density: 1.641g/cm³
• LogP: 3.12100
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 258.9915319
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

METHYL-5,6-DICHLORO-1H-BENZO[D]IMIDAZOL-2-YLCARBAMATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NC1=NC2=CC(=C(C=C2N1)Cl)Cl

Technology Process of Methyl 5,6-dichloro-1h-benzo[d]imidazol-2-ylcarbamate

There total 2 articles about Methyl 5,6-dichloro-1h-benzo[d]imidazol-2-ylcarbamate 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: 96.0%

4,5-Dichloro-1,2-phenylenediamine (5348-42-5) + 1,3-Dicarbomethoxy-S-methylisothiourea (34840-23-8) → methyl (5,6-dichloro-1H-benzo[d]imidazol-2-yl)carbamate (41196-04-7)

Guidance literature:

In methanol; at 85 ℃; for 12h;

DOI:10.1021/acs.jmedchem.9b01244

Reference yield: 80.0%

4,5-Dichloro-1,2-phenylenediamine (5348-42-5) + S-Methylisothiourea sulfate (867-44-7,147895-43-0) + methyl chloroformate (79-22-1) → methyl (5,6-dichloro-1H-benzo[d]imidazol-2-yl)carbamate (41196-04-7)

Guidance literature:

S-Methylisothiourea sulfate; methyl chloroformate; With sodium hydroxide; at 10 - 15 ℃; pH=8.0;

4,5-Dichloro-1,2-phenylenediamine; With acetic acid; at 95 ℃; for 2h; pH=5.0;

DOI:10.1016/S0960-894X(02)00346-3

upstream raw materials:

4,5-Dichloro-1,2-phenylenediamine

S-Methylisothiourea sulfate

methyl chloroformate

1,3-Dicarbomethoxy-S-methylisothiourea

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