tert-Butyl 2-fluoro-3-hydroxypropylcarbamate

Base Information

• Chemical Name: tert-Butyl 2-fluoro-3-hydroxypropylcarbamate
• CAS No.: 648900-68-9
• Molecular Formula: C8H16FNO3
• Molecular Weight: 193.218
• DSSTox Substance ID: DTXSID50423588
• Nikkaji Number: J1.865.692B
• Mol file: 648900-68-9.mol

Synonyms:648900-68-9;tert-Butyl 2-fluoro-3-hydroxypropylcarbamate;tert-butyl N-(2-fluoro-3-hydroxypropyl)carbamate;tert-butyl (2-fluoro-3-hydroxypropyl)carbamate;tert-Butyl2-fluoro-3-hydroxypropylcarbamate;3-(Boc-amino)-2-fluoro-1-propanol;((S)-2-Fluoro-3-hydroxy-propyl)-carbamic acid tert-butyl ester;SCHEMBL1814117;DTXSID50423588;MFCD22571459;AB85776;SB46191;SY267364;tert-butyl(2-fluoro-3-hydroxypropyl)carbamate;EN300-321757;rac-tert-butyl (2-fluoro-3-hydroxypropyl)carbamate;2-Fluoro-3-hydroxypropylcarbamic acid tert-butyl ester

Chemical Property of tert-Butyl 2-fluoro-3-hydroxypropylcarbamate

Chemical Property:

• Boiling Point: 313.2±32.0 °C(Predicted)
• PKA: 11.68±0.46(Predicted)
• PSA: 62.05000
• Density: 1.096±0.06 g/cm3(Predicted)
• LogP: 1.04590
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 193.11142153
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(2-fluoro-3-hydroxypropyl)carbamate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of tert-Butyl 2-fluoro-3-hydroxypropylcarbamate

There total 4 articles about tert-Butyl 2-fluoro-3-hydroxypropylcarbamate 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: 97.0%

C15H22FNO3 → tert-butyl 2-fluoro-3-hydroxypropylcarbamate (648900-68-9)

Guidance literature:

With 10 wt% Pd(OH)2 on carbon; hydrogen; In ethanol; ethyl acetate; at 20 ℃; for 2.5h;

Reference yield:

tert-butyl N-(2,3-dihydroxypropyl)carbamate (137618-48-5) → tert-butyl 2-fluoro-3-hydroxypropylcarbamate (648900-68-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydride / tetrahydrofuran / 0.25 h / 20 °C

1.2: 0 - 20 °C

2.1: triethylamine; (bis-(2-methoxyethyl)amino)sulfur trufluoride / dichloromethane / 10 h / 0 - 20 °C

3.1: 10 wt% Pd(OH)2 on carbon; hydrogen / ethyl acetate; ethanol / 2.5 h / 20 °C

With 10 wt% Pd(OH)2 on carbon; hydrogen; sodium hydride; triethylamine; (bis-(2-methoxyethyl)amino)sulfur trufluoride; In tetrahydrofuran; ethanol; dichloromethane; ethyl acetate;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 2-fluoro-3-hydroxypropylcarbamate (648900-68-9)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium hydroxide / tert-butyl alcohol / 5 h / 0 - 20 °C

2.1: sodium hydride / tetrahydrofuran / 0.25 h / 20 °C

2.2: 0 - 20 °C

3.1: triethylamine; (bis-(2-methoxyethyl)amino)sulfur trufluoride / dichloromethane / 10 h / 0 - 20 °C

4.1: 10 wt% Pd(OH)2 on carbon; hydrogen / ethyl acetate; ethanol / 2.5 h / 20 °C

With 10 wt% Pd(OH)2 on carbon; hydrogen; sodium hydride; triethylamine; sodium hydroxide; (bis-(2-methoxyethyl)amino)sulfur trufluoride; In tetrahydrofuran; ethanol; dichloromethane; ethyl acetate; tert-butyl alcohol;

upstream raw materials:

di-tert-butyl dicarbonate

tert-butyl N-(2,3-dihydroxypropyl)carbamate

1-benzyloxy-3-((tert-butoxycarbonyl)amino)propan-2-ol