Ethyl 3-aminothiophene-2-carboxylate

Base Information

• Chemical Name: Ethyl 3-aminothiophene-2-carboxylate
• CAS No.: 31823-64-0
• Molecular Formula: C7H9NO2S
• Molecular Weight: 171.21700
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70437440
• Nikkaji Number: J2.121.055B
• Wikidata: Q72472711
• Mol file: 31823-64-0.mol

Synonyms:Ethyl 3-aminothiophene-2-carboxylate;31823-64-0;2-Thiophenecarboxylic acid, 3-amino-, ethyl ester;ETHYL3-AMINOTHIOPHENE-2-CARBOXYLATE;3-Amino-thiophene-2-carboxylic acid ethyl ester;amino(ethoxycarbonyl)thiophene;SCHEMBL930157;ethyl aminothiophene carboxylate;DTXSID70437440;VSRVNHPIXCUMIA-UHFFFAOYSA-N;MFCD09953566;AKOS010564140;AB55410;AS-35597;Ethyl 3-aminothiophene-2-carboxylate,97%;Ethyl 3-aminothiophene-2-carboxylate, 97%;FT-0687875;EN300-99526;3-Aminothiophene-2-carboxylic acid ethyl ester;A911975;J-520851;F1903-0382

Chemical Property of Ethyl 3-aminothiophene-2-carboxylate

Chemical Property:

• Melting Point: 40-45°C
• Boiling Point: 109-112 °C(Press: 0.3 Torr)
• PKA: 1.87±0.10(Predicted)
• Flash Point: >110℃
• PSA: 80.56000
• Density: 1.262±0.06 g/cm3(Predicted)
• LogP: 2.08820
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 171.03539970
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl 3-aminothiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 3/7-24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=CS1)N

Technology Process of Ethyl 3-aminothiophene-2-carboxylate

There total 1 articles about Ethyl 3-aminothiophene-2-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: 90.0%

ethyl 2-sulfanylacetate (623-51-8) + 2-Chloroacrylonitrile (920-37-6) → methyl 3-amino-2-thiophenecarboxylate (31823-64-0)

Guidance literature:

With sodium ethanolate; In ethanol;

DOI:10.1055/s-0029-1218697

Reference yield: 89.0%

methyl 3-amino-2-thiophenecarboxylate (31823-64-0) → 3-aminothiophene-2-carbohydrazide (137844-98-5)

Guidance literature:

With hydrazine hydrate; In ethanol; Reflux;

DOI:10.1002/cmdc.201402234 DOI:10.1002/cmdc.201402234

Reference yield:

formamide (77287-34-4,77287-35-5,60100-09-6) + methyl 3-amino-2-thiophenecarboxylate (31823-64-0) → 3H-thieno[3,2-d]pyrimidin-4-one (16234-10-9)

Guidance literature:

Reflux;

DOI:10.1002/jhet.1574

upstream raw materials:

ethyl 2-sulfanylacetate

2-Chloroacrylonitrile

Downstream raw materials:

7-hydroxythieno<2,3-b>pyridin-5(4H)-one

7-chlorothieno<3,2-b>pyridin-5(4H)-one

5,7-dichlorothieno<3,2-b>pyridine

7-chloro-5-methoxythieno<3,2-b>pyridine

Refernces

• 1、 Salvetti, Raul,Martinetti, Giovanni,Ubiali, Daniela,Pregnolato, Massimo,Pagani, Giuseppe. "1,2-Dithiolan-3-ones and derivatives structurally related to leinamycin. Synthesis and biological evaluation". . p. 995 - 998. Retrieved 2007/10/03.