3-Amino-3-(4-chlorophenyl)-1-propanol

Base Information

• Chemical Name: 3-Amino-3-(4-chlorophenyl)-1-propanol
• CAS No.: 68208-26-4
• Molecular Formula: C9H12ClNO
• Molecular Weight: 185.653
• Hs Code.: 2922199090
• European Community (EC) Number: 845-632-5
• DSSTox Substance ID: DTXSID20588754
• Mol file: 68208-26-4.mol

Synonyms:68208-26-4;3-Amino-3-(4-chlorophenyl)-1-propanol;3-amino-3-(4-chlorophenyl)propan-1-ol;3-Amino-3-(4-chloro-phenyl)-propan-1-ol;MFCD03412663;MFCD07784069;SCHEMBL390400;DTXSID20588754;JGNACDMQJLVKIU-UHFFFAOYSA-N;AKOS011674478;AB14423;AB88526;SB44949;3-amino-3-(4-chlorophenyl)1-propanol;3-(4-chlorophenyl)-3-amino-1-propanol;SY015092;SY015726;DB-016868;DB-073979;GAMMA-AMINO-4-CHLORO-BENZENEPROPANOL;3-(4-CHLOROPHENYL)-DL-BETA-ALANINOL;CS-0168709;EN300-209177;A836050;3-Amino-3-(4-chlorophenyl)-1-propanol 68208-26-4;3-amino-3-(4-chlorophenyl)propan-1-ol hydrochloride

Chemical Property of 3-Amino-3-(4-chlorophenyl)-1-propanol

Chemical Property:

• Vapor Pressure: 7.93E-05mmHg at 25°C
• Boiling Point: 327.9°C at 760 mmHg
• Flash Point: 152.1°C
• PSA: 46.25000
• Density: 1.216g/cm³
• LogP: 2.42250
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 185.0607417
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-3-(4-chlorophenyl)-1-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CCO)N)Cl
• Uses: 3-Amino-3-(4-chlorophenyl)-1-propanol is a useful reactant for the synthesis of meta-?functionalized pyridines.

Technology Process of 3-Amino-3-(4-chlorophenyl)-1-propanol

There total 5 articles about 3-Amino-3-(4-chlorophenyl)-1-propanol 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: 57.0%

3-amino-3-(4-chlorophenyl)propionic acid (19947-39-8,131690-61-4) → 3-amino-3-(4-chlorophenyl)propan-1-ol (68208-26-4,1213362-28-7,886061-26-3)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 22 ℃; for 5.83333h; Inert atmosphere;

DOI:10.1021/jm301762v

Reference yield:

C11H11Cl4NO → 3-amino-3-(4-chlorophenyl)propan-1-ol (68208-26-4,1213362-28-7,886061-26-3)

Guidance literature:

Multi-step reaction with 2 steps

1: cesium iodide; phthaloyl peroxide / acetonitrile / 8 h / Irradiation; Inert atmosphere

2: hydrogenchloride / methanol; water / 2 h

With hydrogenchloride; phthaloyl peroxide; cesium iodide; In methanol; water; acetonitrile;

DOI:10.1002/anie.202008806

Reference yield:

C11H9Cl4NO → 3-amino-3-(4-chlorophenyl)propan-1-ol (68208-26-4,1213362-28-7,886061-26-3)

Guidance literature:

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

DOI:10.1002/anie.202008806

upstream raw materials:

3-amino-3-(4-chlorophenyl)propionic acid

4-chlorobenzaldehyde

Downstream raw materials:

tert-butyl 1-(4-chlorophenyl)-3-hydroxypropylcarbamate

3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propyl Methanesulfonate

tert-butyl 1-(4-chlorophenyl)-3-sulfamoylpropylcarbamate

3-amino-3-(4-chlorophenyl)propane-1-sulfonamide

Refernces

• 1、 Fang, Yuanding,Fu, Kang,Shi, Lei,Zhao, Rong,Zhou, Jia. "Site-Specific C(sp3)–H Aminations of Imidates and Amidines Enabled by Covalently Tethered Distonic Radical Anions". . p. 20682 - 20690. Retrieved 2020/09/07.
• 2、 -. "PYRROLO [2,3-D] PYRIMIDIN DERIVATIVES AS PROTEIN KINASE B INHIBITORS". Page/Page column 102-103. . Retrieved 2009/05/30.