2-Cyclopropyl-3-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)quinoline

Base Information

• Chemical Name: 2-Cyclopropyl-3-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)quinoline
• CAS No.: 146578-99-6
• Molecular Formula: C31H25FNOP
• Molecular Weight: 477.518
• DSSTox Substance ID: DTXSID40453253
• Wikidata: Q72460799
• Mol file: 146578-99-6.mol

Synonyms:146578-99-6;2-CYCLOPROPYL-3-[(DIPHENYLPHOSPHINYL)METHYL]-4-(4-FLUOROPHENYL)QUINOLINE;2-Cyclopropyl-3-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)quinolin;2-cyclopropyl-3-(diphenylphosphorylmethyl)-4-(4-fluorophenyl)quinoline;2-CYCLOPROPYL-3-[(DIPHENYLPHOSPHINYL)-METHYL]-4-(4-FLUOROPHENYL)QUINOLIN;2-CYCLOPROPYL-3-[(DIPHENYLPHOSPHOROSO)METHYL]-4-(4-FLUOROPHENYL)QUINOLINE;C31H25FNOP;SCHEMBL10129234;DTXSID40453253;MZRARJFFURJVLQ-UHFFFAOYSA-N;AMY40352;BCP10761;MFCD12828197;AKOS015999589;Quinoline, 2-cyclopropyl-3-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-;AS-73239;SY043372;CS-0156063;FT-0657748;C72786;A808526;2-Cyclopropyl-3-[(diphenylphosphoryl)methyl]-4-(4-fluorophenyl)quinoline;Diphenyl[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methylphosphine oxide;[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]methyl-diphenyl-phosphane

Chemical Property of 2-Cyclopropyl-3-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)quinoline

Chemical Property:

• Boiling Point: 644.276 °C at 760 mmHg
• PKA: 4.40±0.50(Predicted)
• Flash Point: 343.446 °C
• PSA: 39.77000
• Density: 1.28±0.1 g/cm3(Predicted)
• LogP: 7.43240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 477.16577958
• Heavy Atom Count: 35
• Complexity: 712

Purity/Quality:

99%, ^*data from raw suppliers

2-Cyclopropyl-3-[(diphenylphosphinyl)-methyl]-4-(4-fluorophenyl)quinolin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC1C2=NC3=CC=CC=C3C(=C2CP(=O)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)F

Technology Process of 2-Cyclopropyl-3-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)quinoline

There total 5 articles about 2-Cyclopropyl-3-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)quinoline 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: 100.0%

ethyl diphenylphosphinate (1733-55-7) + 3-(bromomethyl)-2-cyclopropyl-4-(4-fluorophenyl)-quinoline (154057-56-4) → <2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl>methyl(diphenyl)phosphine oxide (146578-99-6)

Guidance literature:

In toluene; for 12h; Heating;

DOI:10.1246/bcsj.68.364

Reference yield: 91.0%

Ethyl diphenylphosphinite (719-80-2) + 3-(bromomethyl)-2-cyclopropyl-4-(4-fluorophenyl)-quinoline (154057-56-4) → <2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl>methyl(diphenyl)phosphine oxide (146578-99-6)

Guidance literature:

In tetrahydrofuran; for 64h; Inert atmosphere; Reflux;

DOI:10.1055/s-0031-1290916

Reference yield:

2-cyclopropyl-4-(4-fluorophenyl)-3-(hydroxymethyl)quinoline (121660-11-5) → <2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl>methyl(diphenyl)phosphine oxide (146578-99-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / phosphorus tribromide / CH₂Cl₂; toluene / 3 h / Ambient temperature

2: 100 percent / toluene / 12 h / Heating

With phosphorus tribromide; In dichloromethane; toluene;

DOI:10.1246/bcsj.68.364

upstream raw materials:

Ethyl diphenylphosphinite

3-(bromomethyl)-2-cyclopropyl-4-(4-fluorophenyl)-quinoline

ethyl diphenylphosphinate

2-cyclopropyl-4-(4-fluorophenyl)-3-(hydroxymethyl)quinoline

Downstream raw materials:

(4R,6S)-(E)-{6-[2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetic acid tert-butyl ester

((4S,6R)-6-{(E)-2-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-vinyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid methyl ester

(3S,5R,6E)-7-<2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl>-3,5-dihydroxy-6-heptenoic acid ,15-lactone

(4R,6S)-4-{[tert-butyl(dimethyl)silyl]oxy}-6-{(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]vinyl}tetrahydro-2H-pyran-2-one