ethyl 6H-thieno[2,3-b]pyrrole-5-carboxylate

Base Information

• Chemical Name: ethyl 6H-thieno[2,3-b]pyrrole-5-carboxylate
• CAS No.: 35357-56-3
• Molecular Formula: C9H9NO2S
• Molecular Weight: 195.24
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00470926
• Wikidata: Q72477398
• Mol file: 35357-56-3.mol

Synonyms:ethyl 6H-thieno[2,3-b]pyrrole-5-carboxylate;35357-56-3;6H-thieno[2,3-b]pyrrole-5-carboxylic acid ethyl ester;MFCD06761694;6H-Thieno[2,3-b]pyrrole-5-carboxylicacid, ethyl ester;SCHEMBL1243825;AMY8968;DTXSID00470926;KRPJGLCVEYTVBW-UHFFFAOYSA-N;AKOS000265514;AS-76061;SY269257;CS-0151719;EN300-87175;A822753;6H-thieno[2,3-b]pyrrole-5carboxylic acid ethyl ester;6H-thieno[3,2-d]pyrrole-5-carboxylic acid ethyl ester

Chemical Property of ethyl 6H-thieno[2,3-b]pyrrole-5-carboxylate

Chemical Property:

• Melting Point: 120 °C
• Boiling Point: 345.671 °C at 760 mmHg
• PKA: 14.50±0.30(Predicted)
• Flash Point: 162.856 °C
• PSA: 70.33000
• Density: 1.34 g/cm³
• LogP: 2.40610
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 195.03539970
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

Ethyl6H-thieno[2,3-b]pyrrole-5-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(N1)SC=C2

Technology Process of ethyl 6H-thieno[2,3-b]pyrrole-5-carboxylate

There total 5 articles about ethyl 6H-thieno[2,3-b]pyrrole-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: 96.0%

ethyl (Z)-2-azido-3-(3-thienyl)prop-2-enoate (335030-68-7) → ethyl thieno<2,3-b>pyrrole-5-carboxylate (35357-56-3)

Guidance literature:

Reference yield: 87.0%

ethyl 2-azido-3-(thiophen-3-yl)acrylate (35355-52-3) → ethyl thieno<2,3-b>pyrrole-5-carboxylate (35357-56-3)

Guidance literature:

In xylene; for 0.166667h; Heating;

Reference yield: 31.0%

→ ethyl thieno<2,3-b>pyrrole-5-carboxylate (35357-56-3)

Guidance literature:

upstream raw materials:

ethyl 2-azido-3-(thiophen-3-yl)acrylate

ethyl (Z)-2-azido-3-(3-thienyl)prop-2-enoate

3-thiophene carboxaldehyde

ethyl-2-azidoacetate

Downstream raw materials:

6H-thieno[2,3-b]pyrrole-5-carboxylic acid

2-Chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid ethyl ester

6H-thieno[2,3-b]pyrrole

ethyl 2-(4-chlorobenzoyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate

Refernces

• 1、 -. "New tetracyclic compound". Paragraph 0372; 0377-0378. . Retrieved 2019/11/14.
• 2、 Ching, Kuan-Chieh,Tran, Thi Ngoc Quy,Amrun, Siti Naqiah,Kam, Yiu-Wing,Ng, Lisa F. P.,Chai, Christina L. L.. "Structural Optimizations of Thieno[3,2-b]pyrrole Derivatives for the Development of Metabolically Stable Inhibitors of Chikungunya Virus". . p. 3165 - 3186. Retrieved 2017/04/21.