2-Amino-1-phenylethanol

Base Information

• Chemical Name: 2-Amino-1-phenylethanol
• CAS No.: 7568-93-6
• Deprecated CAS: 1477-64-1,1936-63-6,73-59-6
• Molecular Formula: C8H11 N O
• Molecular Weight: 137.181
• Hs Code.: 29221990
• European Community (EC) Number: 231-469-1
• NSC Number: 46837,5021
• UNII: 2P4Y56479O
• DSSTox Substance ID: DTXSID10864094
• Nikkaji Number: J41.855B
• Wikipedia: Phenylethanolamine
• Wikidata: Q7181429
• Metabolomics Workbench ID: 37582
• ChEMBL ID: CHEMBL19216
• Mol file: 7568-93-6.mol

Synonyms:2-amino-1-phenylethanol

Chemical Property of 2-Amino-1-phenylethanol

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0.00148mmHg at 25°C
• Melting Point: 56-60
• Refractive Index: 1.558-1.56
• Boiling Point: 160at17mmHg
• PKA: 12.04±0.35(Predicted)
• Flash Point: 125.3oC
• PSA: 46.25000
• Density: 1.0630 (rough estimate)
• LogP: 1.37900
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 43.79g/L(20 oC)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 89.3

Purity/Quality:

99% ^*data from raw suppliers

DL-Phenylethanolamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Ethanolamines
• Canonical SMILES: C1=CC=C(C=C1)C(CN)O
• Uses: 2-Amino-1-phenylethanol is an intermediate in the manufacturing of pressor amines. The sulfate salt is used as topical vasoconstrictor.

Technology Process of 2-Amino-1-phenylethanol

There total 94 articles about 2-Amino-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: 100.0%

2-azido-1-phenylethan-1-ol (124718-87-2,18756-01-9) → 2-Amino-1-phenylethanol (7568-93-6,1936-63-6)

Guidance literature:

With Zn(BH₄)2(Ph₃P)2; In tetrahydrofuran; Heating;

DOI:10.1080/10426509808029675

Reference yield: 99.0%

5-phenyloxazolidin-2-one (7693-77-8,54705-41-8,60426-44-0) → 2-Amino-1-phenylethanol (7568-93-6,1936-63-6)

Guidance literature:

With N-(2-Aminoethyl)aminomethyl polystyrene; In tetrahydrofuran; at 60 ℃;

DOI:10.1016/S0040-4039(01)02218-3

Reference yield: 97.0%

2-(2-hydroxy-2-phenyl-ethyl)-isoindole-1,3-dione (35645-98-8) → 2-Amino-1-phenylethanol (7568-93-6,1936-63-6)

Guidance literature:

With hydrazine hydrate; In water; at 60 ℃; for 3h;

DOI:10.1080/00397911.2011.603876

upstream raw materials:

benzoyl cyanide

styrene oxide

N-hydroxy-2-oxo-2-phenylethanimidoyl chloride

2-diazo-acetophenone

Downstream raw materials:

bis-(β-hydroxy-phenethyl)-amine

tris-(β-hydroxy-phenethyl)-amine

2-(isopropylamino)-1-phenylethanol

rac-2,2-dimethyl-5-phenyloxazolidine

Refernces

• 1、 Chen, Xingpeng,Huang, Zhengshuo,Xu, Jiaxi. "Catalyst-Free Electrophilic Ring Expansion of N-Unprotected Aziridines with α-Oxoketenes to Efficient Access 2-Alkylidene-1,3-Oxazolidines". . p. 3098 - 3108. Retrieved 2021/05/10.
• 2、 Cho, Inha,Prier, Christopher K.,Jia, Zhi-Jun,Zhang, Ruijie K.,G?rbe, Tamás,Arnold, Frances H.. "Enantioselective Aminohydroxylation of Styrenyl Olefins Catalyzed by an Engineered Hemoprotein". . p. 3138 - 3142. Retrieved 2019/02/01.