2-Amino-2-(4-fluorophenyl)ethanol

Base Information

• Chemical Name: 2-Amino-2-(4-fluorophenyl)ethanol
• CAS No.: 140373-17-7
• Molecular Formula: C8H10FNO
• Molecular Weight: 155.172
• Hs Code.: 2922190090
• European Community (EC) Number: 802-142-6
• DSSTox Substance ID: DTXSID40564732
• Mol file: 140373-17-7.mol

Synonyms:2-AMINO-2-(4-FLUOROPHENYL)ETHANOL;140373-17-7;2-amino-2-(4-fluorophenyl)ethan-1-ol;BENZENEETHANOL, BETA-AMINO-4-FLUORO-;Benzeneethanol, beta-amino-4-fluoro- (9CI);b-Amino-4-fluorobenzeneethanol;MFCD11213644;MFCD09253715;4-Fluoro-alpha-(hydroxymethyl)benzylamine;SCHEMBL57488;beta-Amino-4-fluorobenzeneethanol;DTXSID40564732;SRQPEYLZIUEVIA-UHFFFAOYSA-N;beta-amino-4-fluoro-benzeneethanol;Benzeneethanol, |A-amino-4-fluoro-;(R)-b-Amino-4-fluoro-benzeneethanol;2-amino-2-(4-fluoro-phenyl)-ethanol;AKOS005174192;SB75785;SB76346;SB76593;AM803200;AS-39620;SY047985;SY111431;CS-0088073;EN300-146726;A925495;ABT-224,PIPERIDINE,1-(6-QUINOXALINYLCARBONYL)-

Chemical Property of 2-Amino-2-(4-fluorophenyl)ethanol

Chemical Property:

• Boiling Point: 287.4±25.0 °C(Predicted)
• PKA: 12.48±0.10(Predicted)
• PSA: 46.25000
• Density: 1.208±0.06 g/cm3(Predicted)
• LogP: 1.51810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 155.074642105
• Heavy Atom Count: 11
• Complexity: 113

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-2-(4-fluorophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CO)N)F

Technology Process of 2-Amino-2-(4-fluorophenyl)ethanol

There total 9 articles about 2-Amino-2-(4-fluorophenyl)ethanol 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: 28.3%

→ α-hydroxymethyl-4-fluorobenzylamine (140373-17-7)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Reflux;

Reference yield:

4-fluorophenethyl 2,2,2-trichloroacetimidate → α-hydroxymethyl-4-fluorobenzylamine (140373-17-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium iodide; [bis(acetoxy)iodo]benzene / acetonitrile / 2 h / Irradiation; Inert atmosphere

2: hydrogenchloride / methanol; water / 2 h

With hydrogenchloride; [bis(acetoxy)iodo]benzene; sodium iodide; In methanol; water; acetonitrile;

DOI:10.1021/jacs.7b05214

Reference yield:

C10H7Cl3FNO → α-hydroxymethyl-4-fluorobenzylamine (140373-17-7)

Guidance literature:

With hydrogenchloride; In methanol; water; for 2h;

DOI:10.1021/jacs.7b05214

upstream raw materials:

(2RS)-N-(p-fluorophenyl)glycine

2-azido-2-(4-fluorophenyl)ethan-1-ol

4-fluorostyrene oxide

para-fluorostyrene

Downstream raw materials:

C₁₁H₁₄FNO

(E)-1-(4-fluorophenyl)-N-(4-methoxyphenyl)methanimine

4-fluoro-2-hydroxy-acetophenone

(S)-1-(4-fluorophenyl)-2-hydroxyethylamine