Methyl 2-[(cyclohexyl-(cyclopropanecarbonyl)amino)methyl]-1,3-thiazole-4-carboxylate

Base Information

• Chemical Name: Methyl 2-[(cyclohexyl-(cyclopropanecarbonyl)amino)methyl]-1,3-thiazole-4-carboxylate
• CAS No.: 5943-53-3
• Molecular Formula: C16H22N2O3S
• Molecular Weight: 322.4225
• DSSTox Substance ID: DTXSID50355638
• Wikidata: Q82134653
• Mol file: 5943-53-3.mol

Synonyms:5943-53-3;Methyl 2-[(cyclohexyl-(cyclopropanecarbonyl)amino)methyl]-1,3-thiazole-4-carboxylate;DTXSID50355638

Chemical Property of Methyl 2-[(cyclohexyl-(cyclopropanecarbonyl)amino)methyl]-1,3-thiazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 2.88E-09mmHg at 25°C
• Boiling Point: 477.1°Cat760mmHg
• Flash Point: 242.4°C
• PSA: 87.74000
• Density: 1.26g/cm³
• LogP: 3.00100
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 322.13511374
• Heavy Atom Count: 22
• Complexity: 422

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)C3CC3

Technology Process of Methyl 2-[(cyclohexyl-(cyclopropanecarbonyl)amino)methyl]-1,3-thiazole-4-carboxylate

There total 7 articles about Methyl 2-[(cyclohexyl-(cyclopropanecarbonyl)amino)methyl]-1,3-thiazole-4-carboxylate 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%

tris(dimethylamino)methane (5762-56-1) → N,N,N',N'-tetramethylselenourea (5943-53-3)

Guidance literature:

With selenium; In xylene; for 44h; Heating;

DOI:10.1002/prac.19963380180

Reference yield: 78.0%

carbon diselenide (506-80-9) + dimethyl amine (124-40-3) → N,N,N',N'-tetramethylselenourea (5943-53-3)

Guidance literature:

With bromine; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1055/s-1982-29940

Reference yield: 64.0%

tetramethylurea (632-22-4) → N,N,N',N'-tetramethylselenourea (5943-53-3)

Guidance literature:

With bis(trimethylsilyl)selenide; boron trifluoride diethyl etherate; In benzene; at 150 ℃; for 24h;

DOI:10.1246/bcsj.67.876

upstream raw materials:

N,N,N',N',S-pentamethylthiuronium iodide

bis(dimethylamino)dichloromethane

carbon diselenide

dimethyl amine