tert-Butyl (3-hydroxy-2-phenylpropyl)carbamate

Base Information

• Chemical Name: tert-Butyl (3-hydroxy-2-phenylpropyl)carbamate
• CAS No.: 127087-62-1
• Molecular Formula: C14H21NO3
• Molecular Weight: 251.326
• DSSTox Substance ID: DTXSID30572720
• Nikkaji Number: J324.059B
• Mol file: 127087-62-1.mol

Synonyms:127087-62-1;tert-butyl 3-hydroxy-2-phenylpropylcarbamate;TERT-BUTYL N-(3-HYDROXY-2-PHENYLPROPYL)CARBAMATE;tert-Butyl (3-hydroxy-2-phenylpropyl)carbamate;Carbamic acid, N-(3-hydroxy-2-phenylpropyl)-, 1,1-dimethylethyl ester;SCHEMBL5742834;DTXSID30572720;2740480-00-4;AKOS030571963;EN300-225137;F19974;tert-butyl N-[(2R)-3-hydroxy-2-phenyl-propyl]carbamate

Chemical Property of tert-Butyl (3-hydroxy-2-phenylpropyl)carbamate

Chemical Property:

• PSA: 62.05000
• LogP: 2.49160
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 251.15214353
• Heavy Atom Count: 18
• Complexity: 254

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC(CO)C1=CC=CC=C1

Technology Process of tert-Butyl (3-hydroxy-2-phenylpropyl)carbamate

There total 8 articles about tert-Butyl (3-hydroxy-2-phenylpropyl)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: 96.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-Hydroxy-2-phenyl-1-aminopropane (62247-39-6) → (3-hydroxy-2-phenylpropyl)carbamic acid tert-butyl ester (127087-62-1)

Guidance literature:

With sodium hydrogencarbonate; In acetone;

DOI:10.1039/b306117e

Reference yield: 89.0%

tert-butyl (2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl)carbamate → (3-hydroxy-2-phenylpropyl)carbamic acid tert-butyl ester (127087-62-1)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; at 0 - 25 ℃; for 0.5h; Schlenk technique; Inert atmosphere;

DOI:10.1039/d1cc00093d

Reference yield: 74.0%

[3-[(tert-butyldimethylsilanyl)oxy]-2-phenylpropyl]carbamic acid tert-butyl ester (677325-00-7) → (3-hydroxy-2-phenylpropyl)carbamic acid tert-butyl ester (127087-62-1)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃; for 0.166667h;

DOI:10.1021/jo030284g

upstream raw materials:

di-tert-butyl dicarbonate

3-Hydroxy-2-phenyl-1-aminopropane

[3-[(tert-butyldimethylsilanyl)oxy]-2-phenylpropyl]carbamic acid tert-butyl ester

3-((tert-butyldimethylsilyl)oxy)-2-phenylpropan-1-ol

Downstream raw materials:

(3-oxo-2-phenylpropyl)carbamic acid tert-butyl ester

hexahydro-4-hydroxy-5-phenylfuro[2,3-b]pyridine-7-carboxylic acid tert-butyl ester