NISTC4590527

Base Information

• Chemical Name: NISTC4590527
• CAS No.: 4590-52-7
• Molecular Formula: C9H8FNO
• Molecular Weight: 165.167
• Hs Code.: 2933790090
• Mol file: 4590-52-7.mol

Synonyms:7-Fluor-3,4-dihydro-carbostyril;2(1H)-Quinolinone, 7-fluoro-3,4-dihydro-;7-fluoro-1,2,3,4-tetrahydroquinolin-2-one;Carbostyril,3,4-dihydro-7-fluoro;7-fluoro-3,4-dihydrocarbostyril;

Chemical Property of NISTC4590527

Chemical Property:

• Vapor Pressure: 0.000804mmHg at 25°C
• Boiling Point: 305.8°Cat760mmHg
• PKA: 14.01±0.20(Predicted)
• Flash Point: 138.7°C
• PSA: 32.59000
• Density: 1.241g/cm³
• LogP: 1.79550
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

7-Fluoro-3,4-dihydroquinolin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 7-Fluoro-3,4-dihydroquinolin-2(1H)-one is a useful reagent in the multicomponent one-pot synthesis of 3,4-dihydroquinolinones.

Technology Process of NISTC4590527

There total 13 articles about NISTC4590527 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: 93.2%

3-chloro-N-(3-fluoro-phenyl)-propionamide (100638-26-4) → 7-fluoro-3,4-dihydro-1H-quinolin-2-one (4590-52-7)

Guidance literature:

With aluminum (III) chloride; at 120 - 125 ℃; for 2h; Inert atmosphere;

Reference yield: 92.0%

2-propenamide (79-06-1,12624-24-7,25038-45-3,27754-57-0,33338-03-3,39387-77-4,68247-81-4,9082-06-8,79079-15-5) + 2-chloro-4-fluorophenylboronic acid (313545-72-1) → 7-fluoro-3,4-dihydro-1H-quinolin-2-one (4590-52-7)

Guidance literature:

With potassium phosphate; chloro(1,5-cyclooctadiene)rhodium(I) dimer; bis(η3-allyl-μ-chloropalladium(II)); XPhos; In methanol; tert-Amyl alcohol; at 20 - 110 ℃; for 16.08h; Inert atmosphere; Sealed tube;

DOI:10.1021/ol4006008

Reference yield: 76.6%

methyl 3-(2-amino-4-fluorophenyl)propanoate → 7-fluoro-3,4-dihydro-1H-quinolin-2-one (4590-52-7)

Guidance literature:

In methanol; at 60 ℃; for 12h; Inert atmosphere;

upstream raw materials:

3-chloro-N-(3-fluoro-phenyl)-propionamide

meta-fluoroaniline

2-propenamide

2-chloro-4-fluorophenylboronic acid

Downstream raw materials:

7-fluoro-1,2,3,4-tetrahydroquinoline

7-fluoroquinolin-2(1H)-one

3-(7-fluoro-1,2,3,4-tetrahydroquinolin-1-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid

methyl 3-(7-fluoro-1,2,3,4-tetrahydroquinolin-1-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate