Thieno[3,2-f]quinoline-2-carboxylic acid

Base Information

• Chemical Name: Thieno[3,2-f]quinoline-2-carboxylic acid
• CAS No.: 29948-26-3
• Molecular Formula: C14H11NO2S
• Molecular Weight: 229.25400
• DSSTox Substance ID: DTXSID10735290
• Wikidata: Q82679319
• Mol file: 29948-26-3.mol

Synonyms:Thieno[3,2-f]quinoline-2-carboxylic acid;1619264-46-8;DTXSID10735290;AKOS015998922;Thieno[3,2-f]quinoline-2-carboxylicacid;WS-01363;L10197;A883043

Chemical Property of Thieno[3,2-f]quinoline-2-carboxylic acid

Chemical Property:

• Boiling Point: 429.0±25.0 °C(Predicted)
• PKA: 3.75±0.40(Predicted)
• PSA: 78.43000
• Density: 1.321±0.06 g/cm3(Predicted)
• LogP: 3.14770
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 229.01974964
• Heavy Atom Count: 16
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

Ethylthieno[3,2-f]quinoline-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC3=C2C=C(S3)C(=O)O)N=C1

Technology Process of Thieno[3,2-f]quinoline-2-carboxylic acid

There total 4 articles about Thieno[3,2-f]quinoline-2-carboxylic acid 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:

ethanol (64-17-5) + thieno[3,2-f]quinoline-2-carboxylic acid → ethyl thieno[3,2-f]quinoline-2-carboxylate (29948-26-3)

Guidance literature:

With sulfuric acid; Heating;

DOI:10.1246/bcsj.70.891

Reference yield:

ethyl 5-nitro-2-benzo[b]thiophenecarboxylate (25785-09-5) → ethyl thieno[3,2-f]quinoline-2-carboxylate (29948-26-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent

2: 1.) conc. H₂SO₄, sodium m-nitrobenzene-sulfonate, H₃BO₃, 2.) H₂SO₄

With sulfuric acid; boric acid; sodium 3-nitrobenzenesulfonate;

DOI:10.1016/0040-4039(96)01278-6

Reference yield:

ethanol (64-17-5) + ethyl 5-amino-1-benzothiophene-2-carboxylate (25785-10-8) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → ethyl thieno[3,2-f]quinoline-2-carboxylate (29948-26-3)

Guidance literature:

With sulfuric acid; boric acid; sodium 3-nitrobenzenesulfonate; Yield given. Multistep reaction;

DOI:10.1016/0040-4039(96)01278-6

upstream raw materials:

ethyl 5-amino-1-benzothiophene-2-carboxylate

glycerol

ethanol

ethyl 5-nitro-2-benzo[b]thiophenecarboxylate

Refernces

• 1、 Tanaka, Kazuhiko,Kitahara, Yoshinori,Suzuki, Hitomi,Osuga, Hideji,Kawai, Yasushi. "Synthesis and crystal structure of chiral bifunctional helicenes with π-deficient pyridine and π-excessive thiopene units". . p. 5925 - 5928. Retrieved 2007/10/03.