(r)-3-(4-Fluorophenyl)-beta-alaninol

Base Information

• Chemical Name: (r)-3-(4-Fluorophenyl)-beta-alaninol
• CAS No.: 228422-47-7
• Molecular Formula: C9H12 F N O
• Molecular Weight: 169.199
• Hs Code.: 2922190090
• European Community (EC) Number: 674-809-8
• DSSTox Substance ID: DTXSID00436623
• Mol file: 228422-47-7.mol

Synonyms:228422-47-7;(r)-3-(4-fluorophenyl)-beta-alaninol;(r)-3-amino-3-(4-fluorophenyl)propan-1-ol;(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol;MFCD07784088;(r)-beta-(4-fluorophenyl)alaninol;(r)-3-amino-3-(4-fluoro-phenyl)-propan-1-ol;SCHEMBL971560;DTXSID00436623;(R)- -(4-Fluorophenyl)alaninol;CCJPLYPJQZYBLI-SECBINFHSA-N;AKOS006286170;AS-37742;CS-0168714;(R)-1-(4-fluorophenyl)-3-hydroxypropylamine;(R)-3-amino-3-(4-fluorophenyl)-propan-1-ol;EN300-1163990

Chemical Property of (r)-3-(4-Fluorophenyl)-beta-alaninol

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.541
• Boiling Point: 296.8°Cat760mmHg
• Flash Point: 133.3°C
• PSA: 46.25000
• Density: 1.167g/cm³
• LogP: 1.90820
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 169.090292168
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

99%, ^*data from raw suppliers

(R)-3-(4-Fluorophenyl)-β-alaninol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CCO)N)F
• Isomeric SMILES: C1=CC(=CC=C1[C@@H](CCO)N)F
• Uses: (R)-3-(4-Fluorophenyl)-beta-alaninol

Technology Process of (r)-3-(4-Fluorophenyl)-beta-alaninol

There total 1 articles about (r)-3-(4-Fluorophenyl)-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: 83.0%

→ (3R)-3-amino-3-(4-fluorophenyl)propan-1-ol (228422-47-7,228422-49-9)

Guidance literature:

Reference yield: 86.0%

(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol (228422-47-7,228422-49-9) + 2-(4-chloro-3-methoxyphenyl)-4-oxo-5-(propan-2-yl)-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid → 2-(4-chloro-3-methoxyphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-5-(propan-2-yl)-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

Reference yield: 84.0%

(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol (228422-47-7,228422-49-9) + 7-chloro-3-methyl-5-oxo-5,6-dihydroimidazo[1,2-c]pyrimidine-2-carboxylic acid → 7-chloro-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-3-methyl-5-oxo-5,6-dihydroimidazo[1,2-c]pyrimidine-2-carboxamide

Guidance literature:

7-chloro-3-methyl-5-oxo-5,6-dihydroimidazo[1,2-c]pyrimidine-2-carboxylic acid; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 ℃; for 0.0833333h;

(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

Downstream raw materials:

C₁₃H₁₇FN₂O₃S

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