tert-butyl N-[2-(1-hydroxyethyl)phenyl]carbamate

Base Information

• Chemical Name: tert-butyl N-[2-(1-hydroxyethyl)phenyl]carbamate
• CAS No.: 328956-56-5
• Molecular Formula: C13H19 N O3
• Molecular Weight: 237.299
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID70587631
• Mol file: 328956-56-5.mol

Synonyms:tert-butyl 2-(1-hydroxyethyl)phenylcarbamate

Chemical Property of tert-butyl N-[2-(1-hydroxyethyl)phenyl]carbamate

Chemical Property:

• Vapor Pressure: 0.000192mmHg at 25°C
• Boiling Point: 314.8°C at 760 mmHg
• PKA: 13.78±0.70(Predicted)
• Flash Point: 144.2°C
• PSA: 58.56000
• Density: 1.132g/cm³
• LogP: 3.15990
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 237.13649347
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

97% ^*data from raw suppliers

1-(2-BOC-AMINO-PHENYL)-ETHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1NC(=O)OC(C)(C)C)O

Technology Process of tert-butyl N-[2-(1-hydroxyethyl)phenyl]carbamate

There total 3 articles about tert-butyl N-[2-(1-hydroxyethyl)phenyl]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: 84.0%

tert-butyl (2-acetylphenyl)carbamate (314773-77-8) → tert-butyl (2-(1-hydroxyethyl)phenyl)carbamate (328956-56-5)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 - 20 ℃; for 2h;

DOI:10.3390/molecules16098098

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl (2-(1-hydroxyethyl)phenyl)carbamate (328956-56-5)

Guidance literature:

Multi-step reaction with 2 steps

1: dmap / tetrahydrofuran / 12 h / Reflux

2: methanol; sodium tetrahydroborate / 2 h / 0 - 20 °C

With methanol; dmap; sodium tetrahydroborate; In tetrahydrofuran;

DOI:10.3390/molecules16098098

Reference yield:

2-aminoacetophenone (551-93-9) → tert-butyl (2-(1-hydroxyethyl)phenyl)carbamate (328956-56-5)

Guidance literature:

Multi-step reaction with 2 steps

1: dmap / tetrahydrofuran / 12 h / Reflux

2: methanol; sodium tetrahydroborate / 2 h / 0 - 20 °C

With methanol; dmap; sodium tetrahydroborate; In tetrahydrofuran;

DOI:10.3390/molecules16098098

upstream raw materials:

di-tert-butyl dicarbonate

2-aminoacetophenone

tert-butyl (2-acetylphenyl)carbamate

Downstream raw materials:

(+/-)-6-(1-Cyclohexenyl)-1,4-dihydro-4-methyl-1,3-benzo[d]oxazin-2-one

tert-butyl (S)-(2-(1-hydroxyethyl)phenyl)carbamate

tert-butyl (R)-(2-(1-hydroxyethyl)phenyl)carbamate

(R)-1-(2-((tert-butoxycarbonyl)amino)phenyl)ethyl acetate