alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol

Base Information

• Chemical Name: alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol
• CAS No.: 105565-56-8
• Deprecated CAS: 99931-61-0
• Molecular Formula: C18H22 F2 N4 O
• Molecular Weight: 348.396
• UNII: A5NB5G07JO
• DSSTox Substance ID: DTXSID70909596
• Nikkaji Number: J292.257F,J292.933C,J227.825A
• Wikipedia: BMY-14802
• Wikidata: Q4836101
• Pharos Ligand ID: CVHFBDLT9P2R
• ChEMBL ID: CHEMBL60859
• Mol file: 105565-56-8.mol

Synonyms:alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol;BMS 181100;BMS-181100;BMY 14802;BMY 14802-1;BMY-14802

Chemical Property of alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol

Chemical Property:

• Vapor Pressure: 1.13E-11mmHg at 25°C
• Boiling Point: 520.8°Cat760mmHg
• Flash Point: 268.8°C
• PSA: 52.49000
• Density: 1.256g/cm³
• LogP: 2.39350
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 348.17616766
• Heavy Atom Count: 25
• Complexity: 379

Purity/Quality:

99% ^*data from raw suppliers

ALPHA-(4-FLUOROPHENYL)-4-(5-FLUORO-2-PYRIMIDINYL)-1-PIPERAZINE BUTANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=NC=C(C=N3)F

Technology Process of alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol

There total 2 articles about alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol 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:

BMY 14786 (99931-58-5) → 4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]-1-(4-fluorophenyl)butanol (105565-56-8)

Guidance literature:

With sodium tetrahydroborate; In ethanol;

DOI:10.1021/jm00102a002

Reference yield:

→ 4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]-1-(4-fluorophenyl)butanol (105565-56-8)

Guidance literature:

Reference yield: 88.0%

(S)-phenylethyl isocyanate (14649-03-7) + 4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]-1-(4-fluorophenyl)butanol (105565-56-8) → ((S)-1-Phenyl-ethyl)-carbamic acid (S)-1-(4-fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl ester (144317-75-9)

Guidance literature:

In benzene; for 144h;

DOI:10.1021/jm00102a002

upstream raw materials:

BMY 14786

Downstream raw materials:

(R,R)-4-<4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl>-1-(4-fluorophenyl)butyl (1-phenethyl)carbamate

((S)-1-Phenyl-ethyl)-carbamic acid (S)-1-(4-fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl ester

1-[4azido-4-(4-fluorophenyl)butyl]-4-(5-fluoro-2-pyrimidinyl)piperazine monohydrochloride

1-[4-(4-Fluorophenyl)-4-methoxybutyl]-4-(5-fluoropyrimidin-2-yl) piperazine hydrochloride