Ethyl 4-Amino-8-fluoroquinoline-3-carboxylate

Base Information

• Chemical Name: Ethyl 4-Amino-8-fluoroquinoline-3-carboxylate
• CAS No.: 955328-46-8
• Molecular Formula: C₁₂H₁₁FN₂O₂
• Molecular Weight: 234.23
• DSSTox Substance ID: DTXSID20588698
• Wikidata: Q82481543
• Mol file: 955328-46-8.mol

Synonyms:Ethyl 4-Amino-8-fluoroquinoline-3-carboxylate;955328-46-8;4-amino-8-fluoroquinoline-3-carboxylic acid ethyl ester;ethyl 4-amino-8-fluoro-3-quinolinecarboxylate;SCHEMBL440043;F2156-0038;DTXSID20588698;VEQPOVUAOUJZIU-UHFFFAOYSA-N;BBL012831;MFCD10037685;STK787920;AKOS000272118;CCG-303335;MCULE-4814872270;VS-03544;CS-0313774;3-Quinolinecarboxylic acid, 4-amino-8-fluoro-, ethyl ester;4-amino-8-fluoro-quinoline-3-carboxylic acid ethyl ester, AldrichCPR

Chemical Property of Ethyl 4-Amino-8-fluoroquinoline-3-carboxylate

Chemical Property:

• Vapor Pressure: 9.78E-06mmHg at 25°C
• Boiling Point: 372.2°C at 760 mmHg
• Flash Point: 178.9°C
• PSA: 65.21000
• Density: 1.318g/cm³
• LogP: 2.71400
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 234.08045576
• Heavy Atom Count: 17
• Complexity: 288

Purity/Quality:

97% ^*data from raw suppliers

4-AMINO-8-FLUOROQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN=C2C(=C1N)C=CC=C2F

Technology Process of Ethyl 4-Amino-8-fluoroquinoline-3-carboxylate

There total 1 articles about Ethyl 4-Amino-8-fluoroquinoline-3-carboxylate 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: 70.0%

4-azido-3-carboethoxy-8-fluoroquinoline → 4-amino-8-fluoro-quinoline-3-carboxylic acid ethyl ester (955328-46-8)

Guidance literature:

With sodium dithionite; In methanol; for 24h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1039/c9nj02829c

Reference yield:

4-amino-8-fluoro-quinoline-3-carboxylic acid ethyl ester (955328-46-8) → C19H12FN5O2S

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium hydroxide / dimethyl sulfoxide / 0.5 h / 20 °C

1.2: 1.5 h / 20 °C / Cooling with ice

2.1: hydrazine hydrate / ethanol / 6 h / Reflux

3.1: ethanol / 4 h / Reflux

4.1: potassium carbonate / N,N-dimethyl-formamide / Reflux

With potassium carbonate; hydrazine hydrate; sodium hydroxide; In ethanol; dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.4314/bcse.v31i2.15

Reference yield:

4-amino-8-fluoro-quinoline-3-carboxylic acid ethyl ester (955328-46-8) → C19H12FN5O2S

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium hydroxide / dimethyl sulfoxide / 0.5 h / 20 °C

1.2: 1.5 h / 20 °C / Cooling with ice

2.1: hydrazine hydrate / ethanol / 6 h / Reflux

3.1: ethanol / 4 h / Reflux

4.1: potassium carbonate / N,N-dimethyl-formamide / Reflux

With potassium carbonate; hydrazine hydrate; sodium hydroxide; In ethanol; dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.4314/bcse.v31i2.15

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