(S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

Base Information

• Chemical Name: (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
• CAS No.: 870281-86-0
• Molecular Formula: C17H16FN3O
• Molecular Weight: 297.332
• Mol file: 870281-86-0.mol

Synonyms:(S)-2-(1-aminoethyl)-6-methylphenol;Phenol,2-(1-aminoethyl)-6-methyl-,(S)-(9CI);2-(1-aMinoethyl)-6-Methyl;(S)-2-(1-amino-propyl)-5-fluoro-3-phenyl-3H-quinazolin-4-one;

Chemical Property of (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

Chemical Property:

• Boiling Point: 455.3±55.0 °C(Predicted)
• PKA: 8.23±0.29(Predicted)
• PSA: 60.91000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 3.63490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

97% ^*data from raw suppliers

2-[(1S)-1-Aminoprpyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

There total 18 articles about (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one 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%

(S)-(1-(5-fluoro-4-carbonyl-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamic acid tert-butyl ester (870281-85-9) → (S)-2-(1-((9H-purin-6-yl-2,8-d2)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one (870281-86-0)

Guidance literature:

With hydrogenchloride; In water; ethyl acetate; at 20 ℃;

Reference yield: 86.8%

(S)-N-[2-[[3-fluoro-2-[(phenylamino)carbonyl]phenyl]amino]-1-ethyl-2-oxoethyl]-carbamic acid tert-butyl ester → (S)-2-(1-((9H-purin-6-yl-2,8-d2)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one (870281-86-0)

Guidance literature:

With iodine; 1,1,1,3,3,3-hexamethyl-disilazane; In dichloromethane; at 30 ℃; for 5h; Solvent; Temperature; Reagent/catalyst; Concentration;

Reference yield: 85.8%

(S)-[1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydro-quinazolin-2-yl)propyl]carbamic acid isobutyl ester → (S)-2-(1-((9H-purin-6-yl-2,8-d2)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one (870281-86-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

(S)-(1-(5-fluoro-4-carbonyl-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamic acid tert-butyl ester

2-fluoro-6-nitro-N-phenyl-benzamide

(S)-[1-(2-fluoro-6-nitro-benzoy)phenylaminocarbonyl]propyl carbamic acid tert-butyl ester

2-amino-6-fluoro-N-phenyl-benzamide

Downstream raw materials:

5-fluoro-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-3,4-dihydroquinazolin-4-one