2-Thiophenecarboximidic acid ethyl ester

Base Information

• Chemical Name: 2-Thiophenecarboximidic acid ethyl ester
• CAS No.: 54610-47-8
• Molecular Formula: C7H9NOS
• Molecular Weight: 155.221
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50481527
• Wikidata: Q82316992
• Mol file: 54610-47-8.mol

Synonyms:54610-47-8;2-THIOPHENECARBOXIMIDIC ACID ETHYL ESTER;thiophene-2-carboximidic acid ethyl ester;Ethyl thiophene-2-carbimidate;ETHYL THIOPHENE-2-CARBOXIMIDATE;Ethylthiophene-2-carbimidate;SCHEMBL1545361;DTXSID50481527;IJMOMMSECUQUFV-UHFFFAOYSA-N;AKOS010211708;EN300-1261052

Chemical Property of 2-Thiophenecarboximidic acid ethyl ester

Chemical Property:

• PSA: 61.32000
• LogP: 2.20970
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 155.04048508
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99%min ^*data from raw suppliers

2-Thiophenecarboximidicacidethylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=N)C1=CC=CS1

Technology Process of 2-Thiophenecarboximidic acid ethyl ester

There total 4 articles about 2-Thiophenecarboximidic acid 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:

thiophene-2-carbonitrile (1003-31-2) + ethanol (64-17-5) → ethyl thiophene-2-carboximidate (54610-47-8)

Guidance literature:

With hydrogenchloride; In dichloromethane; at 0 ℃; for 120h; Yield given;

DOI:10.1016/S0040-4020(01)81311-9

Reference yield:

2-thiophenylcarboxamide (5813-89-8) + triethyloxonium hexaflourophosphate (17950-40-2) → ethyl thiophene-2-carboximidate (54610-47-8)

Guidance literature:

In dichloromethane; for 48h;

DOI:10.1021/ja0547937

Reference yield:

→ ethyl thiophene-2-carboximidate (54610-47-8)

Guidance literature:

With hydrogenchloride; als Hydrochlorid;

upstream raw materials:

thiophene-2-carbonitrile

ethanol

2-thiophenylcarboxamide

triethyloxonium hexaflourophosphate

Downstream raw materials:

2-(2-thienyl)-1H-benzimidazole

3-[3-(3-chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-propionic acid (ethoxy-thiophen-2-yl-methylene)-hydrazide

Refernces

• 1、 Han, Xu,Gao, Feng,Li, Chunpu,Fang, Daqing,Xie, Xiong,Zhou, Yu,Liu, Hong. "Synthesis of Highly Fused Pyrano[2,3- b]pyridines via Rh(III)-Catalyzed C-H Activation and Intramolecular Cascade Annulation under Room Temperature". supporting information. p. 6281 - 6294. Retrieved 2020/03/05.
• 2、 Chaudhary, Bharatkumar,Auti, Prashant,Shinde, Suchita Dattatray,Yakkala, Prasanna Anjaneyulu,Giri, Deepesh,Sharma, Satyasheel. "Rh(III)-Catalyzed [3 + 2] Annulation via C-H Activation: Direct Access to Trifluoromethyl-Substituted Indenamines and Aminoindanes". supporting information. p. 2763 - 2767. Retrieved 2019/04/30.