alpha-(Aminomethyl)-3,4-dichlorobenzyl alcohol

Base Information

• Chemical Name: alpha-(Aminomethyl)-3,4-dichlorobenzyl alcohol
• CAS No.: 3567-82-6
• Molecular Formula: C8H9 Cl2 N O
• Molecular Weight: 206.072
• Hs Code.: 2922199090
• European Community (EC) Number: 222-659-5
• DSSTox Substance ID: DTXSID90957054
• Nikkaji Number: J216.206G
• Metabolomics Workbench ID: 71523
• ChEMBL ID: CHEMBL224526
• Mol file: 3567-82-6.mol

Synonyms:3,4-dichlorophenylethanolamine;3,4-dichlorophenylethanolamine hydrochloride;3,4-dichlorophenylethanolamine, (+-)-isomer;DCPE

Chemical Property of alpha-(Aminomethyl)-3,4-dichlorobenzyl alcohol

Chemical Property:

• Vapor Pressure: 1.26E-05mmHg at 25°C
• Boiling Point: 354.1°Cat760mmHg
• Flash Point: 167.9°C
• PSA: 46.25000
• Density: g/cm³
• LogP: 2.68580
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.0061193
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-1-(3,4-dichlorophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(CN)O)Cl)Cl

Technology Process of alpha-(Aminomethyl)-3,4-dichlorobenzyl alcohol

There total 14 articles about alpha-(Aminomethyl)-3,4-dichlorobenzyl alcohol 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:

2-amino-1-(3,4-dichloro-phenyl)-ethanone; hydrochloride (41995-19-1) → 2-amino-1-(3,4-dichlorophenyl)ethan-1-ol (3567-82-6,390406-08-3)

Guidance literature:

2-amino-1-(3,4-dichloro-phenyl)-ethanone; hydrochloride; With potassium carbonate; In methanol; at 20 ℃; for 0.0833333h;

With sodium tetrahydroborate; In methanol; at 0 ℃; for 0.5h;

Reference yield:

C11H17Cl2NOSi → 2-amino-1-(3,4-dichlorophenyl)ethan-1-ol (3567-82-6,390406-08-3)

Guidance literature:

With hydrogenchloride; In methanol; diethyl ether; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

Reference yield:

3,4-dichlorobenzaldehyde (6287-38-3) → 2-amino-1-(3,4-dichlorophenyl)ethan-1-ol (3567-82-6,390406-08-3)

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-amino-1-(3,4-dichloro-phenyl)-ethanone

2-chloro-1-(3,4-dichlorophenyl)ethan-1-ol

3,4-dichlorobenzaldehyde

(3,4-dichloro-phenyl)-glyoxal-2-oxime

Downstream raw materials:

5-([1,2,4]triazolo[1,5-α]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline

7-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline

2-(3-([1,2,4]triazolo[1,5-a;]pyridin-6-yl)benzylamino)-1-(3,4-dichlorophenyl)ethanol

[rac]-(4-tert-butyl-benzyl)-[2-(3,4-dichloro-phenyl)-2-hydroxy-ethyl]-amine

Refernces

• 1、 -. "ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE". . . Retrieved 2009/10/18.
• 2、 -. "Indole, indazole and indoline derivatives as CETP inhibitors". Page/Page column 29. . Retrieved 2010/02/15.