4-Chlorothieno[2,3-c]pyridine-2-carboxylic acid

Base Information

• Chemical Name: 4-Chlorothieno[2,3-c]pyridine-2-carboxylic acid
• CAS No.: 251996-86-8
• Molecular Formula: C₈H₄ClNO₂S
• Molecular Weight: 213.644
• Hs Code.: 2933599090
• European Community (EC) Number: 853-096-9
• DSSTox Substance ID: DTXSID401243493
• Mol file: 251996-86-8.mol

Synonyms:4-chlorothieno[2,3-c]pyridine-2-carboxylic acid;251996-86-8;Thieno[2,3-c]pyridine-2-carboxylic acid, 4-chloro-;Thieno[2,3-c]pyridine-2-carboxylicacid, 4-chloro-;SCHEMBL658705;LLXSBUMTRUIFAL-UHFFFAOYSA-N;DTXSID401243493;MFCD10699411;AKOS022925269;AS-37183;DB-067343;CS-0216290;EN300-384275;4-chloro-Thieno[2,3-c]pyridine-2-carboxylic acid;Z1269153683;4-TRIFLUOROMETHYL-2-HYDROXY-PYRIMIDINE-5-CARBOXYLIC ACID

Chemical Property of 4-Chlorothieno[2,3-c]pyridine-2-carboxylic acid

Chemical Property:

• PSA: 83.31000
• Density: 1.634
• LogP: 0.89920
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 212.9651272
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

4-Chloro-thieno[2,3-c]pyridine-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC2=CN=CC(=C21)Cl)C(=O)O
• Uses: 4-Chloro-thieno[2,3-c]pyridine-2-carboxylic Acid is used in the preparation of Sant-75 analogs which are used as Hedgehog-pathway inhibitors .

Technology Process of 4-Chlorothieno[2,3-c]pyridine-2-carboxylic acid

There total 2 articles about 4-Chlorothieno[2,3-c]pyridine-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: 97.0%

methyl 4-chlorothieno[2,3-c]pyridine-2-carboxylate (251996-85-7) → 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid (251996-86-8)

Guidance literature:

methyl 4-chlorothieno[2,3-c]pyridine-2-carboxylate; With lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 3h;

With hydrogenchloride; In tetrahydrofuran; water; pH=4;

Reference yield: 85.0%

→ 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid (251996-86-8)

Guidance literature:

Reference yield: 88.0%

4-chlorothieno[2,3-c]pyridine-2-carboxylic acid (251996-86-8) → 4-chlorothieno[3,2-d]pyridine (477874-92-3)

Guidance literature:

In diphenylether; for 20h; Heating;

DOI:10.1002/jhet.5570450106

upstream raw materials:

methyl 4-chlorothieno[2,3-c]pyridine-2-carboxylate

Downstream raw materials:

4-chlorothieno[3,2-d]pyridine

C₂₉H₃₁ClN₄OS