3-(4-FLUOROPHENYL)-DL-BETA-ALANINOL

Base Information

• Chemical Name: 3-(4-FLUOROPHENYL)-DL-BETA-ALANINOL
• CAS No.: 612532-52-2
• Molecular Formula: C9H12FNO
• Molecular Weight: 169.1960832
• Hs Code.: 2922199090
• Mol file: 612532-52-2.mol

Synonyms:3-(4-FLUOROPHENYL)-DL-BETA-ALANINOL

Chemical Property of 3-(4-FLUOROPHENYL)-DL-BETA-ALANINOL

Chemical Property:

• Vapor Pressure: 0.000631mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 296.8°C at 760 mmHg
• Flash Point: 133.3°C
• PSA: 46.25000
• Density: 1.167g/cm³
• LogP: 1.90820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

98%Min ^*data from raw suppliers

3-Amino-3-(4-fluorophenyl)propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(4-FLUOROPHENYL)-DL-BETA-ALANINOL

There total 2 articles about 3-(4-FLUOROPHENYL)-DL-BETA-ALANINOL 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:

4-fluorobenzaldehyde (459-57-4) → 3-amino-3-(4-fluorophenyl)propan-1-ol (612532-52-2,228422-49-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium acetate / ethanol / 16 h / Heating

2: LAH / tetrahydrofuran

With ammonium acetate; lithium aluminium tetrahydride; In tetrahydrofuran; ethanol;

DOI:10.1016/j.bmcl.2005.05.038

Reference yield:

3-amino-3-(4-fluorophenyl)propanoic acid (325-89-3) → 3-amino-3-(4-fluorophenyl)propan-1-ol (612532-52-2,228422-49-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2005.05.038

Reference yield: 1.0%

3-amino-3-(4-fluorophenyl)propan-1-ol (612532-52-2,228422-49-9) + 4-oxo-6-(quinolin-7-yl)-4,5-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid → N-[1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-6-(7-quinolyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

Guidance literature:

4-oxo-6-(quinolin-7-yl)-4,5-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 1h;

3-amino-3-(4-fluorophenyl)propan-1-ol; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

upstream raw materials:

3-amino-3-(4-fluorophenyl)propanoic acid

4-fluorobenzaldehyde

Downstream raw materials:

3-bromo-1-(4-fluorophenyl)-1-propylamine hydrobromide

Refernces

• 1、 Guo, Zhiqiang,Wu, Dongpei,Zhu, Yun-Fei,Tucci, Fabio C.,Regan, Collin F.,Rowbottom, Martin W.,Struthers, R. Scott,Xie, Qiu,Reijmers, Shelby,Sullivan, Susan K.,Sai, Yang,Chen, Chen. "Structure-activity relationships of 1,3,5-triazine-2,4,6-triones as human gonadotropin-releasing hormone receptor antagonists". . p. 3685 - 3690. Retrieved 2007/10/03.