Ethyl (alpha-(hydroxymethyl)phenethyl)carbamate

Base Information

• Chemical Name: Ethyl (alpha-(hydroxymethyl)phenethyl)carbamate
• CAS No.: 19071-59-1
• Molecular Formula: C₁₂H₁₇NO₃
• Molecular Weight: 223.272
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID70940641
• Mol file: 19071-59-1.mol

Synonyms:Ethyl (alpha-(hydroxymethyl)phenethyl)carbamate;19071-59-1;ethyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate;BRN 3957395;Carbamic acid, (alpha-(hydroxymethyl)phenethyl)-, ethyl ester;DTXSID70940641;AKOS012564008;LS-49964;Ethyl hydrogen (1-hydroxy-3-phenylpropan-2-yl)carbonimidate

Chemical Property of Ethyl (alpha-(hydroxymethyl)phenethyl)carbamate

Chemical Property:

• Vapor Pressure: 3.99E-07mmHg at 25°C
• Boiling Point: 400.3°Cat760mmHg
• Flash Point: 195.9°C
• PSA: 62.05000
• Density: 1.125g/cm³
• LogP: 1.54050
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

ETHYL (ALPHA-(HYDROXYMETHYL)PHENETHYL)CARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC(CC1=CC=CC=C1)CO

Technology Process of Ethyl (alpha-(hydroxymethyl)phenethyl)carbamate

There total 2 articles about Ethyl (alpha-(hydroxymethyl)phenethyl)carbamate 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: 26.0%

3,5-dimethyl-pyrazole-1-carboxylic acid ethyl ester (10199-58-3) + rac-phenylalaninol (1795-98-8,3182-95-4,5267-64-1,16088-07-6) → DL-N-Aethoxycarbonyl-2-amino-3-phenyl-propanol; dl-(α-Hydroxymethyl-phenaethyl-carbaminsaeureaethylester) (19071-59-1)

Guidance literature:

In tetrahydrofuran; at 60 ℃; for 17.5h;

DOI:10.1016/S0040-4020(98)00947-8

Reference yield:

→ DL-N-Aethoxycarbonyl-2-amino-3-phenyl-propanol; dl-(α-Hydroxymethyl-phenaethyl-carbaminsaeureaethylester) (19071-59-1)

Guidance literature:

DOI:10.1021/jm00310a033

upstream raw materials:

3,5-dimethyl-pyrazole-1-carboxylic acid ethyl ester

rac-phenylalaninol