ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

Base Information

• Chemical Name: ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
• CAS No.: 238749-53-6
• Molecular Formula: C8H8N2O2S
• Molecular Weight: 196.23
• DSSTox Substance ID: DTXSID00593442
• Wikidata: Q82487932
• Mol file: 238749-53-6.mol

Synonyms:238749-53-6;ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate;ethyl 4h-pyrrolo[2,3-d]thiazole-5-carboxylate;SCHEMBL1242544;DTXSID00593442;BXACPZGBYFAFIX-UHFFFAOYSA-N;MFCD16658498;AKOS027441618;SB74503;AS-54139;SY321241;AM20120692;CS-0049459;ethyl4h-pyrrolo[2,3-d]thiazole-5-carboxylate;P17549;EN300-1165820;Ethyl 4H-pyrrolo[2.3-d][1,3]thiazole-5-carboxylate;Z1255441057;4H-Pyrrolo[2,3-d]thiazole-5-carboxylic acid, ethyl ester

Chemical Property of ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

Chemical Property:

• Boiling Point: 352.9±22.0 °C(Predicted)
• PKA: 11.53±0.30(Predicted)
• PSA: 83.22000
• Density: 1.411±0.06 g/cm3(Predicted)
• LogP: 1.80110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.03064868
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4H-pyrrolo[2,3-d]thiazole-5-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(N1)N=CS2

Technology Process of ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

There total 4 articles about ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-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: 98.0%

ethyl 2-azido-3-(thiazol-5-yl)acrylate (1007389-04-9) → ethyl 4H-pyrrolo[2,3-d]thiazole-5-carboxylate (238749-53-6)

Guidance literature:

In toluene; for 2h; Inert atmosphere; Reflux;

DOI:10.1021/acs.jmedchem.7b00180

Reference yield: 95.0%

ethyl (Z)-2-azido-3-thiazol-5-yl-prop-2-enoate → ethyl 4H-pyrrolo[2,3-d]thiazole-5-carboxylate (238749-53-6)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; for 0.5h; Reflux;

DOI:10.1021/acs.jmedchem.6b01018

Reference yield: 91.0%

→ ethyl 4H-pyrrolo[2,3-d]thiazole-5-carboxylate (238749-53-6)

Guidance literature:

upstream raw materials:

thiazole-5-carboxaldehyde

ethyl 2-azido-3-(thiazol-5-yl)acrylate