2-Amino-1-(3,5-dichlorophenyl)ethanol

Base Information

• Chemical Name: 2-Amino-1-(3,5-dichlorophenyl)ethanol
• CAS No.: 78982-78-2
• Molecular Formula: C8H9 Cl2 N O
• Molecular Weight: 206.07
• DSSTox Substance ID: DTXSID30396347
• Nikkaji Number: J532.122K
• ChEMBL ID: CHEMBL3988796
• Mol file: 78982-78-2.mol

Synonyms:78982-78-2;2-amino-1-(3,5-dichlorophenyl)ethanol;3,5-Dichloro-a-aminomethylbenzyl alcohol;2-amino-1-(3,5-dichlorophenyl)ethan-1-ol;CHEMBL3988796;SCHEMBL8402182;DTXSID30396347;SWDAVNPCXAGELD-UHFFFAOYSA-N;BDBM50278965;MFCD11042307;AKOS009159154;1-(3,5-Dichlorophenyl)-2-aminoethanol;EN300-80729;F2189-1011;Z452431482

Chemical Property of 2-Amino-1-(3,5-dichlorophenyl)ethanol

Chemical Property:

• Vapor Pressure: 2.12E-05mmHg at 25°C
• Boiling Point: 346.8°C at 760 mmHg
• PKA: 11.47±0.35(Predicted)
• Flash Point: 163.6°C
• PSA: 46.25000
• Density: 1.391g/cm³
• LogP: 2.68580
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.0061193
• Heavy Atom Count: 12
• Complexity: 135

Purity/Quality:

98% ^*data from raw suppliers

2-amino-1-(3,5-dichlorophenyl)ethan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C(CN)O

Technology Process of 2-Amino-1-(3,5-dichlorophenyl)ethanol

There total 4 articles about 2-Amino-1-(3,5-dichlorophenyl)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:

1-(3,5-dichloro-phenyl)-2-nitro-ethanol → VIS228 (78982-78-2)

Guidance literature:

Multi-step reaction with 3 steps

1: imidazole / CH₂Cl₂

2: H₂ / Raney nickel / methanol

3: Bu₄NF / tetrahydrofuran

With 1H-imidazole; tetrabutyl ammonium fluoride; hydrogen; nickel; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1016/j.bmcl.2006.11.041

Reference yield:

[1-(3,5-dichloro-phenyl)-2-nitro-ethoxy]-triethyl-silane → VIS228 (78982-78-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Raney nickel / methanol

2: Bu₄NF / tetrahydrofuran

With tetrabutyl ammonium fluoride; hydrogen; nickel; In tetrahydrofuran; methanol;

DOI:10.1016/j.bmcl.2006.11.041

Reference yield:

3,5-dichlorobenzaldehyde (10203-08-4) → VIS228 (78982-78-2)

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:

3,5-dichlorobenzaldehyde