2-Acetyl-3-aminothiophene

Base Information

• Chemical Name: 2-Acetyl-3-aminothiophene
• CAS No.: 31968-33-9
• Molecular Formula: C6H7NOS
• Molecular Weight: 141.194
• Hs Code.: 2934999090
• European Community (EC) Number: 679-107-5
• DSSTox Substance ID: DTXSID60370630
• Nikkaji Number: J1.406.843K
• Wikidata: Q82157754
• Mol file: 31968-33-9.mol

Synonyms:2-Acetyl-3-aminothiophene;31968-33-9;1-(3-aminothiophen-2-yl)ethanone;Ethanone, 1-(3-amino-2-thienyl)-;1-(3-AMINOTHIOPHEN-2-YL)ETHAN-1-ONE;SCHEMBL1353374;DTXSID60370630;MMLSKDGCLMDHAJ-UHFFFAOYSA-N;2-Acetyl-3-aminothiophene, 97%;AMY15081;MFCD00052585;AKOS006227971;2-Acetyl-3-aminothiophene, AldrichCPR;AB02201;AS-61165;FT-0610949;A821078

Chemical Property of 2-Acetyl-3-aminothiophene

Chemical Property:

• Vapor Pressure: 0.000254mmHg at 25°C
• Melting Point: 84-88°C
• Refractive Index: 1.606
• Boiling Point: 323.9 °C at 760 mmHg
• Flash Point: 149.7 °C
• PSA: 71.33000
• Density: 1.252 g/cm³
• LogP: 2.11410
• Storage Temp.: 2-8°C
• Water Solubility.: Insoluble in water.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 141.02483502
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

99.9% ^*data from raw suppliers

2-Acetyl-3-aminothiophene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36-22
• Safety Statements: 22-36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CS1)N
• Uses: Dithienopyridines was synthesised from 2-Acetyl-3-aminothiophene. Also used as fine Intermediate.

Technology Process of 2-Acetyl-3-aminothiophene

There total 3 articles about 2-Acetyl-3-aminothiophene 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: 44.0%

2-Chloroacrylonitrile (920-37-6) + 1-mercaptopropan-2-one (24653-75-6) → 1-(3-amino-2-thienyl)ethanone (31968-33-9)

Guidance literature:

1-mercaptopropan-2-one; With methanol; sodium;

2-Chloroacrylonitrile; In methanol; at 4 - 20 ℃; for 2h;

DOI:10.1021/jo900496u

Reference yield:

2-acetyl-3-azidothiophene (57892-89-4) → 1-(3-amino-2-thienyl)ethanone (31968-33-9) + 3-methylthieno<3,2-c>isoxazole (57892-93-0)

Guidance literature:

With 2,6-di-tert-butyl-4-methyl-phenol; In decalin; at 100 ℃; Rate constant; Kinetics; Thermodynamic data; var. temperatures; E_act, S_act;

Reference yield:

→ 1-(3-amino-2-thienyl)ethanone (31968-33-9)

Guidance literature:

Acetamido-3-acetyl-2-thiophen, H2SO4;

upstream raw materials:

2-acetyl-3-azidothiophene

2-Chloroacrylonitrile

1-mercaptopropan-2-one

Downstream raw materials:

Thieno<3,2-c>pyridazin

(2-acetyl-thiophen-3-ylamino)-phenyl-acetic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester

(3R)-3-(2-(2-acetylthiophen-3-ylamino)-2-phenylacetoxy)-1-(2-oxo-2-phenylethyl)-1-azoniabicyclo[2.2.2]octane trifluoroacetate

2-(2-acetylthiophen-3-ylamino)-2-phenylacetic acid

Refernces

• 1、 Dyall, Leonard K.,Suffolk, Peter M.,Dehaen, Wim,L'abbe, Gerrit. "Factors Affecting the Rates of Thermal Decomposition of Azidothiophenes". . p. 2115 - 2119. Retrieved 2007/10/02.