8-Fluoroquinoline-3-carboxylic acid

Base Information

• Chemical Name: 8-Fluoroquinoline-3-carboxylic acid
• CAS No.: 71082-53-6
• Molecular Formula: C10H6FNO2
• Molecular Weight: 191.162
• Hs Code.: 2933998090
• European Community (EC) Number: 815-526-3
• ChEMBL ID: CHEMBL3303903
• DSSTox Substance ID: DTXSID30562888
• Wikidata: Q82447179
• Mol file: 71082-53-6.mol

Synonyms:8-Fluoroquinoline-3-carboxylic acid;71082-53-6;8-fluoro-quinoline-3-carboxylic acid;C10H6FNO2;MFCD11108738;3-Quinolinecarboxylic acid, 8-fluoro-;SCHEMBL3372289;CHEMBL3303903;DTXSID30562888;8-Fluoroquinoline-3-carboxylicacid;AMY26483;BCP18183;WCA08253;AKOS006307406;DS-8729;MB09291;SY157955;8-FLUORO-3-QUINOLINECARBOXYLIC ACID;CS-0043092;EN300-153753;F-6387;A900191;Z1198312127

Chemical Property of 8-Fluoroquinoline-3-carboxylic acid

Chemical Property:

• Boiling Point: 352.148 °C at 760 mmHg
• PKA: 3.28±0.30(Predicted)
• Flash Point: 166.774 °C
• PSA: 50.19000
• Density: 1.432 g/cm³
• LogP: 2.07210
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.03825660
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

8-Fluoro-3-quinolinecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=CC(=CN=C2C(=C1)F)C(=O)O
• Uses: 8-Fluoro-3-quinolinecarboxylic Acid is used as a reactant in the synthesis of an inhibitor of proteasome subunit Rpn11.

Technology Process of 8-Fluoroquinoline-3-carboxylic acid

There total 1 articles about 8-Fluoroquinoline-3-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: 60.0%

→ 8-fluoroquinoline-3-carboxylic acid (71082-53-6)

Guidance literature:

Reference yield: 69.0%

3,4-dimethyl-1-phenylpent-1-yn-3-amine (1190286-88-4) + 8-fluoroquinoline-3-carboxylic acid (71082-53-6) → 8-fluoro-N-(1-isopropyl-1-methyl-3-phenylprop-2-ynyl)quinoline-3-carboxamide

Guidance literature:

With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

Reference yield:

C13H19N*ClH + 8-fluoroquinoline-3-carboxylic acid (71082-53-6) → N-(1-benzyl-1,3-dimethyl-but-3-enyl)-8-fluoroquinoline-3-carboxamide

Guidance literature:

With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 2h;

Downstream raw materials:

8,8'-disulfanediylbis(N-(2-(thiazol-2-yl)ethyl)quinoline-3-carboxamide)

8,8’-disulfanediylbis(N-benzylquinoline-3-carboxamide)

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