Tert-butyl 4-fluorophenylcarbamate

Base Information

• Chemical Name: Tert-butyl 4-fluorophenylcarbamate
• CAS No.: 60144-53-8
• Molecular Formula: C11H14FNO2
• Molecular Weight: 211.236
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60406847
• Nikkaji Number: J432.128F
• Wikidata: Q82211962
• Mol file: 60144-53-8.mol

Synonyms:60144-53-8;tert-butyl 4-fluorophenylcarbamate;tert-butyl (4-fluorophenyl)carbamate;tert-butyl N-(4-fluorophenyl)carbamate;4-Fluoroaniline, N-BOC protected;N-Boc-4-fluoroaniline;tert-butyl(4-fluorophenyl)carbamate;MFCD07127707;N-(tert-Butoxycarbonyl)-4-fluoroaniline;SCHEMBL632848;4-Fluoroaniline,N-boc protected;SCHEMBL13993080;Carbamic acid, (4-fluorophenyl)-, 1,1-dimethylethyl ester;DTXSID60406847;OJVWNENFSPSLRB-UHFFFAOYSA-N;AKOS000501030;PS-8006;SY211234;4-fluorophenylcarbamic acid tert-butyl ester;CS-0154669;FT-0707950;D83198;EN300-318203;(4-fluoro-phenyl)carbamic acid tert-butyl ester;(4-fluorophenyl)-carbamic acid tert-butyl ester;(4-fluoro-phenyl)-carbamic acid tert-butyl ester;A869037;AN-329/43385736

Chemical Property of Tert-butyl 4-fluorophenylcarbamate

Chemical Property:

• PSA: 38.33000
• LogP: 3.24570
• Storage Temp.: Room temperature.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 211.10085685
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-Fluorophenylcarbamate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)F

Technology Process of Tert-butyl 4-fluorophenylcarbamate

There total 12 articles about Tert-butyl 4-fluorophenylcarbamate 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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-fluoroaniline (371-40-4) → N-(tert-butoxycarbonyl)-4-fluoroaniline (60144-53-8)

Guidance literature:

copper(II) bis(tetrafluoroborate); at 30 - 33 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2005.12.044

Reference yield: 98.0%

→ N-(tert-butoxycarbonyl)-4-fluoroaniline (60144-53-8)

Guidance literature:

With guanidine hydrochloride; In ethanol; at 38 ℃;

Reference yield: 90.0%

2,2-dimethylpropanoic anhydride (1538-75-6) + 4-fluoroaniline (371-40-4) → N-(tert-butoxycarbonyl)-4-fluoroaniline (60144-53-8)

Guidance literature:

With zinc(II) chloride; In dichloromethane; at 20 ℃; for 0.333333h;

upstream raw materials:

1-Bromo-4-fluorobenzene

di-tert-butyl dicarbonate

4-fluoroaniline

tert-butyldicarbonate

Downstream raw materials:

4-fluoro-2-(phenylthio)aniline

4-fluoro-2-(thiophenyl)phenyl isocyanate

(6-bromo-pyridin-2-ylmethyl)-(4-fluoro-phenyl)-carbamic acid tert-butyl ester

2-chloro-thiazol-4-ylmethyl-4-fluorophenylcarbamic acid tert-butyl ester