2-(Thiophen-2-YL)isonicotinic acid

Base Information

• Chemical Name: 2-(Thiophen-2-YL)isonicotinic acid
• CAS No.: 893723-57-4
• Molecular Formula: C10H7 N O2 S
• Molecular Weight: 205.237
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90406259
• Wikidata: Q82211160
• Mol file: 893723-57-4.mol

Synonyms:893723-57-4;2-(THIOPHEN-2-YL)ISONICOTINIC ACID;2-thiophen-2-ylpyridine-4-carboxylic Acid;2-(thiophen-2-yl)pyridine-4-carboxylic acid;MFCD06496472;2-Thien-2-ylisonicotinic acid;2-(2-thienyl)pyridine-4-carboxylic acid;SBB052875;2-(2-Thienyl)isonicotinic acid;SCHEMBL21310953;DTXSID90406259;AKOS002664566;TS-02927;2-(THIOPHEN-2-YL)ISONICOTINICACID;CS-0205332;EN300-239885;F2167-2482;Z2905493584

Chemical Property of 2-(Thiophen-2-YL)isonicotinic acid

Chemical Property:

• PSA: 95.50000
• LogP: 2.71090
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 205.01974964
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

99%min. ^*data from raw suppliers

2-Thien-2-ylisonicotinic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C2=NC=CC(=C2)C(=O)O

Technology Process of 2-(Thiophen-2-YL)isonicotinic acid

There total 1 articles about 2-(Thiophen-2-YL)isonicotinic 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: 81.0%

2-bromoisonicotinic acid (66572-56-3) + thiophen-2-yl magnesium bromide (5713-61-1) → 2-(thiophen-2-yl)isonicotinic acid (893723-57-4)

Guidance literature:

thiophen-2-yl magnesium bromide; With titanium(IV) tetraethanolate; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

2-bromoisonicotinic acid; With tributylphosphine; cobalt(II) chloride; In tetrahydrofuran; at 20 ℃; chemoselective reaction; Inert atmosphere;

DOI:10.1021/ol402599f

upstream raw materials:

2-bromoisonicotinic acid

thiophen-2-yl magnesium bromide

Refernces