Ethyl (4-chloro-2-fluorophenyl)carbamate

Base Information

• Chemical Name: Ethyl (4-chloro-2-fluorophenyl)carbamate
• CAS No.: 114108-90-6
• Molecular Formula: C9H9 Cl F N O2
• Molecular Weight: 217.627
• DSSTox Substance ID: DTXSID20358333
• Nikkaji Number: J724.302B
• Wikidata: Q82138827
• Mol file: 114108-90-6.mol

Synonyms:114108-90-6;ethyl N-(4-chloro-2-fluorophenyl)carbamate;ethyl (4-chloro-2-fluorophenyl)carbamate;(4-CHLORO-2-FLUORO-PHENYL)-CARBAMIC ACID ETHYL ESTER;ethyl 4-chloro-2-fluorocarbanilate;4-(Chloro-2-fluorophenyl)-carbamic acid ethyl ester;SCHEMBL7555717;DTXSID20358333;DDGKFWFDDFPLAO-UHFFFAOYSA-N;STK440208;AKOS003273272;AB14010;AC-13613;ethyl N-(4-chloro-2-fluoro-phenyl)carbamate;ETHYL 4-CHLORO-2-FLUOROPHENYLCARBAMATE;SR-01000258126;(4-chloro-2-fluorophenyl)carbamic acid ethyl ester;SR-01000258126-1;(4-FLUORO-2-FLUORO-PHENYL)-CARBAMIC ACID ETHYL ESTER

Chemical Property of Ethyl (4-chloro-2-fluorophenyl)carbamate

Chemical Property:

• Vapor Pressure: 0.073mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 228.5°C at 760 mmHg
• PKA: 11.90±0.70(Predicted)
• Flash Point: 92°C
• PSA: 38.33000
• Density: 1.347g/cm³
• LogP: 3.12050
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 217.0305844
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

99%+ ^*data from raw suppliers

4-(CHLORO-2-FLUOROPHENYL)-CARBAMIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC1=C(C=C(C=C1)Cl)F

Technology Process of Ethyl (4-chloro-2-fluorophenyl)carbamate

There total 1 articles about Ethyl (4-chloro-2-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: 95.0%

2-fluoro-4-chloroaniline (57946-56-2) + chloroformic acid ethyl ester (541-41-3) → ethyl N-(4-chloro-2-fluorophenyl)carbamate (114108-90-6)

Guidance literature:

With pyridine; at 0 ℃; for 3h;

DOI:10.1002/bkcs.12205

Reference yield: 80.0%

1-Bromopinacolon (5469-26-1) + ethyl N-(4-chloro-2-fluorophenyl)carbamate (114108-90-6) → 5-tert-Butyl-3-(4-chloro-2-fluoro-phenyl)-3H-oxazol-2-one (145858-70-4)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; N,N-dimethyl-formamide; for 1h; Ambient temperature;

DOI:10.1248/cpb.44.699

Reference yield: 62.7%

1-Bromo-3-ethyl-3-methyl-2-pentanone (90625-56-2) + ethyl N-(4-chloro-2-fluorophenyl)carbamate (114108-90-6) → 3-(4-Chloro-2-fluoro-phenyl)-5-(1-ethyl-1-methyl-propyl)-3H-oxazol-2-one (145859-26-3)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; N,N-dimethyl-formamide; for 1h; Ambient temperature;

DOI:10.1248/cpb.44.699

upstream raw materials:

2-fluoro-4-chloroaniline

chloroformic acid ethyl ester

Downstream raw materials:

5-tert-Butyl-3-(4-chloro-2-fluoro-phenyl)-3H-oxazol-2-one

3-(4-Chloro-2-fluoro-phenyl)-5-(1-ethyl-1-methyl-propyl)-3H-oxazol-2-one

5-tert-butyl-4,5-dichloro-3-(4-chloro-2-fluoro-phenyl)-oxazolidin-2-one

3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione