Methyl (3-fluorophenyl)carbamate

Base Information

• Chemical Name: Methyl (3-fluorophenyl)carbamate
• CAS No.: 72755-13-6
• Molecular Formula: C8H8FNO2
• Molecular Weight: 169.155
• DSSTox Substance ID: DTXSID40879373
• Nikkaji Number: J1.610.121D
• Wikidata: Q82861474

Synonyms:72755-13-6;methyl (3-fluorophenyl)carbamate;SCHEMBL2091913;DTXSID40879373;SRRAJMNSSIKSFN-UHFFFAOYSA-N;STK489659;AKOS003235189;3-Fluorophenylcarbamic acid methyl ester;(3-fluoro-phenyl)-carbamic acid methyl ester;Carbamic acid, (3-fluorophenyl)-, methyl ester;Z275313730

Chemical Property of Methyl (3-fluorophenyl)carbamate

Chemical Property:

• Melting Point: 64.2 - 67.2 °C
• PSA: 38.33000
• LogP: 2.07700
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 169.05390666
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl (3-fluorophenyl)carbamate

There total 5 articles about Methyl (3-fluorophenyl)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: 96.7%

meta-fluoroaniline (372-19-0) + methyl chloroformate (79-22-1) → (3-fluoro-phenyl)-carbamic acid methyl ester (72755-13-6)

Guidance literature:

With pyridine; In dichloromethane; at -5 - 20 ℃; for 3h;

Reference yield: 88.0%

methanol (67-56-1) + 3-fluorobenzamide (455-37-8) → (3-fluoro-phenyl)-carbamic acid methyl ester (72755-13-6)

Guidance literature:

With N-Bromosuccinimide; potassium tert-butylate; In 1,2-dichloro-ethane; at 80 ℃; for 0.666667h;

DOI:10.1021/acs.joc.6b00329

Reference yield:

meta-fluoroaniline (372-19-0) + aqueous NaHCO3-solution + methyl chloroformate (79-22-1) → (3-fluoro-phenyl)-carbamic acid methyl ester (72755-13-6)

Guidance literature:

In hexane; dichloromethane;

upstream raw materials:

methanol

meta-fluoroaniline

oxalyl dichloride

methyl chloroformate

Downstream raw materials:

(4-bromo-3-fluoro-phenyl)-carbamic acid methyl ester

(S)-N-[3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidine-5-ylmethyl]acetamide

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