Thiazolo[3,2-a][1,3]diazepine-3-carboxylic acid,5,6,7,8-tetrahydro-8-oxo-,ethyl ester

Base Information

• Chemical Name: Thiazolo[3,2-a][1,3]diazepine-3-carboxylic acid,5,6,7,8-tetrahydro-8-oxo-,ethyl ester
• CAS No.: 805326-00-5
• Molecular Formula: C₁₀H₁₂N₂O₃S
• Molecular Weight: 240.283
• UNII: JS6A6EQZ44
• ChEMBL ID: CHEMBL450014
• Nikkaji Number: J2.872.982K
• Wikipedia: HIE-124
• Mol file: 805326-00-5.mol

Synonyms:8-oxo-5,6,7,8-tetrahydro-thiazolo(3,2-a)(1,3)diazepin-3-carboxylate;HIE-124

Chemical Property of Thiazolo[3,2-a][1,3]diazepine-3-carboxylic acid,5,6,7,8-tetrahydro-8-oxo-,ethyl ester

Chemical Property:

• PSA: 88.90000
• LogP: 0.38300
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 240.05686342
• Heavy Atom Count: 16
• Complexity: 390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CSC2=NC(=O)CCCN12

Technology Process of Thiazolo[3,2-a][1,3]diazepine-3-carboxylic acid,5,6,7,8-tetrahydro-8-oxo-,ethyl ester

There total 1 articles about Thiazolo[3,2-a][1,3]diazepine-3-carboxylic acid,5,6,7,8-tetrahydro-8-oxo-,ethyl ester 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: 80.0%

ethyl 2-(4-chloro-butanamido)thiazole-4-carboxylate (805326-01-6) → HIE-124 (805326-00-5)

Guidance literature:

With piperidine; In toluene; for 3h; Heating;

DOI:10.1016/j.bmcl.2007.11.011

upstream raw materials:

ethyl 2-(4-chloro-butanamido)thiazole-4-carboxylate