2-Amino-1-(2-chlorophenyl)ethanol

Base Information

• Chemical Name: 2-Amino-1-(2-chlorophenyl)ethanol
• CAS No.: 23496-56-2
• Molecular Formula: C₈H₁₀ClNO
• Molecular Weight: 171.626
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID00946176
• Nikkaji Number: J532.117D
• Mol file: 23496-56-2.mol

Synonyms:2-amino-1-(2-chlorophenyl)ethanol;23496-56-2;2-amino-1-(2-chlorophenyl)ethan-1-ol;MFCD08544087;alpha-(Aminomethyl)-2-chlorobenzenemethanol;2-chlorophenylethanolamine;Benzenemethanol, alpha-(aminomethyl)-2-chloro-;SCHEMBL2839905;DTXSID00946176;HICFIEHMABUVLC-UHFFFAOYSA-N;YAA49656;AC1512;AKOS000123083;AKOS016051315;BS-12578;SY034841;FT-0721400;EN300-144208;(S)-alpha-(aminomethyl)-2-chlorobenzenemethanol;A878229;J-502478;F2189-0847

Chemical Property of 2-Amino-1-(2-chlorophenyl)ethanol

Chemical Property:

• Melting Point: 63 °C
• Boiling Point: 319.8°Cat760mmHg
• PKA: 11.66±0.35(Predicted)
• Flash Point: 147.2°C
• PSA: 46.25000
• Density: 1.26g/cm³
• LogP: 2.03240
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 171.0450916
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

98.5% ^*data from raw suppliers

2-Amino-1-(2-chlorophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(CN)O)Cl

Technology Process of 2-Amino-1-(2-chlorophenyl)ethanol

There total 12 articles about 2-Amino-1-(2-chlorophenyl)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: 91.7%

2-amino-1-(2-chlorophenyl)ethan-1-one hydrochloride (16442-79-8) → (+/-)-2-amino-1-(2-chlorophenyl)ethanol (23496-56-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 1.5h;

Reference yield:

C16H12ClNO3 → (+/-)-2-amino-1-(2-chlorophenyl)ethanol (23496-56-2)

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 ℃; for 12h;

Reference yield:

2-chloro-benzaldehyde (89-98-5) → (+/-)-2-amino-1-(2-chlorophenyl)ethanol (23496-56-2)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. AcOH; NaOH / ethanol

2: imidazole / CH₂Cl₂

3: H₂ / Raney nickel / methanol

4: Bu₄NF / tetrahydrofuran

With 1H-imidazole; sodium hydroxide; tetrabutyl ammonium fluoride; hydrogen; acetic acid; nickel; In tetrahydrofuran; methanol; ethanol; dichloromethane;

DOI:10.1016/j.bmcl.2006.11.041

upstream raw materials:

2-chloromandelonitrile

trimethylsilyl cyanide

2-chloro-benzaldehyde

1-(2-chloro-phenyl)-2-nitro-ethanol

Downstream raw materials:

clorprenaline

(+/-)-tert-butyl [2-(2-chlorophenyl)-2-hydroxyethyl]carbamate

Refernces

• 1、 -. "Preparation method of stable isotope-labeled clorprenaline". . . Retrieved 2021/07/24.