1-Piperazinepropanol, 4-(4-fluorophenyl)-

Base Information

• Chemical Name: 1-Piperazinepropanol, 4-(4-fluorophenyl)-
• CAS No.: 105173-87-3
• Molecular Formula: C13H19FN2O
• Molecular Weight: 238.305
• DSSTox Substance ID: DTXSID60461299
• Wikidata: Q82285578
• Mol file: 105173-87-3.mol

Synonyms:1-Piperazinepropanol, 4-(4-fluorophenyl)-;105173-87-3;3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-ol;SCHEMBL8334022;DTXSID60461299;AKOS005832403

Chemical Property of 1-Piperazinepropanol, 4-(4-fluorophenyl)-

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 238.14814140
• Heavy Atom Count: 17
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCCO)C2=CC=C(C=C2)F

Technology Process of 1-Piperazinepropanol, 4-(4-fluorophenyl)-

There total 2 articles about 1-Piperazinepropanol, 4-(4-fluorophenyl)- 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%

1-(4-Fluorophenyl)piperazine (2252-63-3) + 1-bromo-3-propanol (627-18-9) → 3-(4-(4-fluorophenyl)piperazin-1-yl)propan-1-ol (105173-87-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1002/jlcr.884

Reference yield:

1-iodopropan-3-ol (627-32-7) + 1-(4-Fluorophenyl)piperazine (2252-63-3) → 3-(4-(4-fluorophenyl)piperazin-1-yl)propan-1-ol (105173-87-3)

Guidance literature:

With potassium carbonate; In acetonitrile; for 16h; Heating;

DOI:10.1016/S0223-5234(97)83291-6

Reference yield: 20.0%

3-(4-(4-fluorophenyl)piperazin-1-yl)propan-1-ol (105173-87-3) + 7-(2-phenylethyl)-8-bromo-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (228247-60-7) → 8-(3-(4-(4-fluorophenyl)piperazin-1-yl)propoxy)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione hydrochloride

Guidance literature:

3-(4-(4-fluorophenyl)piperazin-1-yl)propan-1-ol; 7-(2-phenylethyl)-8-bromo-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; With potassium hydroxide; for 40h; Heating;

With hydrogenchloride; In ethanol; water;

DOI:10.1016/S1734-1140(13)70960-5

upstream raw materials:

1-iodopropan-3-ol

1-(4-Fluorophenyl)piperazine

1-bromo-3-propanol

Downstream raw materials:

1-(3-chloropropyl)-4-(4-fluorophenyl)piperazine

4-(4-Fluorophenyl)-1-[3-(3,4,5-trimethoxyphenylcarbamoyloxy)propyl]piperazine, hydrochloride