1-(2-Amino-5-chlorophenyl)-1-phenylethanol

Base Information

• Chemical Name: 1-(2-Amino-5-chlorophenyl)-1-phenylethanol
• CAS No.: 3158-98-3
• Molecular Formula: C14H14 Cl N O
• Molecular Weight: 247.724
• European Community (EC) Number: 221-603-7
• DSSTox Substance ID: DTXSID90953551
• Nikkaji Number: J217.315H
• Mol file: 3158-98-3.mol

Synonyms:1-(2-amino-5-chlorophenyl)-1-phenylethanol;3158-98-3;1-(5-Chloro-2-aminophenyl)-1-phenylethanol;EINECS 221-603-7;2-Amino-5-chloro-alpha-methylbenzhydryl alcohol;C14H14ClNO;SCHEMBL547466;DTXSID90953551;CS-M1771;2-Amino-5-chloro-alpha-methylbenzhydrol;CS-14512;FT-0664548;1-(2-Amino-5-chlorophenyl)-1-phenylethan-1-ol;Benzenemethanol, 2-amino-5-chloro--methyl--phenyl-;2-Amino-5-chloro-alpha-methyl-alpha-phenylbenzenemethanol

Chemical Property of 1-(2-Amino-5-chlorophenyl)-1-phenylethanol

Chemical Property:

• Vapor Pressure: 1.59E-07mmHg at 25°C
• Melting Point: 93-94 °C
• Boiling Point: 412°Cat760mmHg
• PKA: 13.19±0.29(Predicted)
• Flash Point: 202.9°C
• PSA: 46.25000
• Density: 1.251g/cm³
• LogP: 3.75920
• Solubility.: Chloroform, Dichloromethane, Diethyl Ether
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 247.0763918
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

1-(5-Chloro-2-aminophenyl)-1-phenylethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)Cl)N)O

Technology Process of 1-(2-Amino-5-chlorophenyl)-1-phenylethanol

There total 5 articles about 1-(2-Amino-5-chlorophenyl)-1-phenylethanol 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: 86.0%

methylmagnesium bromide (75-16-1) + 5-chloro-2-aminobenzophenone (719-59-5) → 1-(2-amino-5-chlorophenyl)-1-phenylethan-1-ol (3158-98-3)

Guidance literature:

In diethyl ether; at 0 ℃;

DOI:10.1246/bcsj.78.886

Reference yield:

methyl magnesium iodide (917-64-6) + 5-chloro-2-aminobenzophenone (719-59-5) → 1-(2-amino-5-chlorophenyl)-1-phenylethan-1-ol (3158-98-3)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; for 5h; Inert atmosphere;

Reference yield:

5-chloro-2-aminobenzophenone (719-59-5) + methyl iodide (74-88-4) → 1-(2-amino-5-chlorophenyl)-1-phenylethan-1-ol (3158-98-3)

Guidance literature:

Multistep reaction; (i) Mg, Et₂O, (ii) /BRN= 475640/;

DOI:10.1002/hlca.19650480212

upstream raw materials:

5-chloro-2-aminobenzophenone

methyl iodide

methylmagnesium bromide

2-amino-5-chloroacetophenone

Downstream raw materials:

6-Chlor-1,2-dihydro-4-phenylchinolin-2-on

4-chloro-2-(1-phenylethyl)benzenamine

1-phenyl-1-(2-amino-5-chlorophenyl)ethylene

C₁₇H₁₆Cl₂N₂O₂

Refernces

• 1、 -. "DEUTERATED ANALOGS OF ETIFOXINE, THEIR DERIVATIVES AND USES THEROF". Paragraph 00151. . Retrieved 2016/10/11.
• 2、 Schatz,Wagner-Jauregg. "Synthesis of substituted 1,2-malonyl-1,2-dihydroquinolines (1,3-dioxo-2,3-dihydro-1H-pyrazolo(1,2-alpha)quinolines) with anti-inflammatory characteristics". . p. 1919 - 1931. Retrieved 2007/10/04.