alpha-[[(2-Hydroxyethyl)amino]methyl]benzyl alcohol

Base Information

• Chemical Name: alpha-[[(2-Hydroxyethyl)amino]methyl]benzyl alcohol
• CAS No.: 4397-15-3
• Molecular Formula: C₁₀H₁₅NO₂
• Molecular Weight: 181.235
• European Community (EC) Number: 224-526-7
• UNII: 859JVA4LML
• DSSTox Substance ID: DTXSID30963154
• Nikkaji Number: J205.776J
• Mol file: 4397-15-3.mol

Synonyms:4397-15-3;2-(2-hydroxyethylamino)-1-phenylethanol;2-[(2-hydroxyethyl)amino]-1-phenylethanol;ALPHA-[[(2-HYDROXYETHYL)AMINO]METHYL]BENZYL ALCOHOL;alpha-(((2-Hydroxyethyl)amino)methyl)benzyl alcohol;2-((2-Hydroxyethyl)amino)-1-phenylethanol;EINECS 224-526-7;859JVA4LML;2-[(2-Hydroxyethyl)amino]-1-phenylethan-1-ol;alpha-[[(2-Hydroxyethyl)amino]methyl]benzenemethanol;UNII-859JVA4LML;SCHEMBL6320068;DTXSID30963154;AKOS008926208;SB84039;BS-28876;CS-0209817;N-(2'-hydroxy-2'-phenylethyl)-ethanolamine;alpha-2-hydroxyethylaminomethyl-benzyl alcohol;2-(2-HYDROXY-ETHYLAMINO)-1-PHENYL-ETHANOL;Benzenemethanol, alpha-(((2-hydroxyethyl)amino)methyl)-;.ALPHA.-(((2-HYDROXYETHYL)AMINO)METHYL)BENZENEMETHANOL;BENZENEMETHANOL, .ALPHA.-(((2-HYDROXYETHYL)AMINO)METHYL)-

Chemical Property of alpha-[[(2-Hydroxyethyl)amino]methyl]benzyl alcohol

Chemical Property:

• Melting Point: 88 - 92°C
• Boiling Point: 329.4°Cat760mmHg
• Flash Point: 139.3°C
• PSA: 52.49000
• Density: 1.133g/cm³
• LogP: 0.69280
• Storage Temp.: -20°C, Inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

2-[(2-Hydroxyethyl)amino]-1-phenylethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CNCCO)O
• Uses: 2-[(2-Hydroxyethyl)amino]-1-phenylethanol

Technology Process of alpha-[[(2-Hydroxyethyl)amino]methyl]benzyl alcohol

There total 4 articles about alpha-[[(2-Hydroxyethyl)amino]methyl]benzyl 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: 78.0%

styrene oxide (96-09-3) + ethanolamine (141-43-5) → N-(2-hydroxyethyl)-N-(2-hydroxy-2-phenylethyl)amine (74572-09-1,4397-15-3)

Guidance literature:

at 125 ℃; for 3h;

DOI:10.1246/bcsj.56.212

Reference yield: 12.0%

styrene oxide (96-09-3) + ethanolamine (141-43-5) → N-(2-hydroxyethyl)-N-(2-hydroxy-2-phenylethyl)amine (74572-09-1,4397-15-3) + 2,2'-diphenyltriethanolamine (82871-96-3)

Guidance literature:

With triethylamine; In benzene; for 8h; Ambient temperature;

Reference yield:

styrene oxide (96-09-3) + ethanolamine (141-43-5) → 2-(2-hydroxyethylamino)-2-phenylethanol (40371-10-6) + N-(2-hydroxyethyl)-N-(2-hydroxy-2-phenylethyl)amine (74572-09-1,4397-15-3)

Guidance literature:

at 90 ℃; for 3h;

DOI:10.1081/SCC-120039493

upstream raw materials:

styrene oxide

ethanolamine

Downstream raw materials:

toluene-4-sulfonic acid 2-[(2-hydroxy-2-phenylethyl)(toluene-4-sulfonyl)amino]ethyl ester

2-phenylmorpholine

5-phenyl-3-(2-hydroxyethyl)oxazolidin-2-one

1-(2-hydroxy-ethyl)-4-phenyl-imidazolidin-2-one

Refernces

• 1、 Shakya, Neeraj,Roy, Kuldeep K.,Saxena, Anil K.. "Substituted 1,2,3,4-tetrahydroquinolin-6-yloxypropanes as β3-adrenergic receptor agonists: Design, synthesis, biological evaluation and pharmacophore modeling". supporting information; experimental part. p. 830 - 847. Retrieved 2009/07/25.
• 2、 Huerta, Gloria,Contreras-Ordonez, Guadalupe,Alvarez-Toledano,Santes, Victor,Gomez, Elizabeth,Toscano, Ruben A.. "Facile synthesis of aminoalcohols by ring opening of epoxides under solvent free conditions". . p. 2393 - 2406. Retrieved 2007/10/03.