3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

Base Information

• Chemical Name: 3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
• CAS No.: 315248-91-0
• Molecular Formula: C₁₂H₁₃N₃OS
• Molecular Weight: 247.321
• Hs Code.: 2934999090
• European Community (EC) Number: 647-848-3
• DSSTox Substance ID: DTXSID50354883
• Wikidata: Q82133357
• Mol file: 315248-91-0.mol

Synonyms:3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;315248-91-0;Cambridge id 5271808;Oprea1_531418;Oprea1_783461;IFLab1_005074;SCHEMBL19769212;DTXSID50354883;HMS1426G14;STK008038;AKOS000487844;CCG-109246;AB00078548-01;AG-205/33684025;SR-01000465805;SR-01000465805-1;F1187-0053

Chemical Property of 3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

Chemical Property:

• PSA: 110.24000
• LogP: 3.13770
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 247.07793322
• Heavy Atom Count: 17
• Complexity: 325

Purity/Quality:

95% ^*data from raw suppliers

3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)N)N

Technology Process of 3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

There total 7 articles about 3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide 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:

2-(3-cyano-5,6,7,8-tetrahydro-quinolin-2-ylsulfanyl)-acetamide (314764-01-7) → AG-205/33684025 (315248-91-0)

Guidance literature:

With sodium ethanolate; In ethanol; Heating;

Reference yield:

2-hydroxymethylene cyclohexanone sodium salt → AG-205/33684025 (315248-91-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 82 percent / ethanol / 4 h / 20 °C

2: 67 percent / sodium acetate / ethanol / 1 h / Heating

3: EtONa / ethanol / Heating

With sodium ethanolate; sodium acetate; In ethanol;

Reference yield:

2-(hydroxymethylene)cyclohexanone sodium salt (55735-44-9) → AG-205/33684025 (315248-91-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 4 h / 20 °C

2: potassium carbonate / ethanol / Reflux

With potassium carbonate; In ethanol;

upstream raw materials:

2-(3-cyano-5,6,7,8-tetrahydro-quinolin-2-ylsulfanyl)-acetamide

1,2,5,6,7,8-hexahydro-2-thioxoquinoline-3-carbonitrile

2-(hydroxymethylene)cyclohexanone sodium salt

Downstream raw materials:

2-phenyl-7,8,9,10-tetrahydropyrimido[4',5':4,5]thieno[2,3-b]quinoline-4(3H)-one

4-mercapto-2-phenyl-7,8,9,10-tetrahydropyrimido[4',5':4,5]thieno[2,3-b]quinoline