Ethyl chloro[(4-fluorophenyl)hydrazono]acetate

Base Information

• Chemical Name: Ethyl chloro[(4-fluorophenyl)hydrazono]acetate
• CAS No.: 37522-19-3
• Molecular Formula: C10H10 Cl F N2 O2
• Molecular Weight: 244.653
• Hs Code.: 2928000090
• Mol file: 37522-19-3.mol

Synonyms:37522-19-3;ethyl chloro[(4-fluorophenyl)hydrazono]acetate;ethyl (2Z)-2-chloro-2-[(4-fluorophenyl)hydrazinylidene]acetate;Ethyl (2Z)-2-chloro-2-[2-(4-fluorophenyl)hydrazin-1-ylidene]acetate;2-CHLORO-2-(4-FLUORO-PHENYL-HYDRAZONO)-ACETIC ACID ETHYL ESTER;C10H10ClFN2O2;Acetic acid, chloro((4-fluorophenyl)hydrazono)-, ethyl ester;C10-H10-Cl-F-N2-O2;MFCD06809227;AKOS037655372;BP-12173;PS-10918;2-CHLORO-2-(4-FLUORO-PHENYL-HYDRAZONO)-ACETICACIDETHYLESTER

Chemical Property of Ethyl chloro[(4-fluorophenyl)hydrazono]acetate

Chemical Property:

• PSA: 50.69000
• LogP: 2.42600
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 244.0414834
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

97% ^*data from raw suppliers

Ethyl chloro[(4-fluorophenyl)hydrazono]acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=NNC1=CC=C(C=C1)F)Cl
• Isomeric SMILES: CCOC(=O)/C(=N/NC1=CC=C(C=C1)F)/Cl

Technology Process of Ethyl chloro[(4-fluorophenyl)hydrazono]acetate

There total 5 articles about Ethyl chloro[(4-fluorophenyl)hydrazono]acetate 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: 83.3%

4-fluoroaniline (371-40-4) + ethyl 2-chloro-3-oxo-butyrate (609-15-4) → 2-Chlor-2-(4-fluorphenylhydrazono)-essigsaeure-ethylester (37522-19-3)

Guidance literature:

4-fluoroaniline; With hydrogenchloride; sodium nitrite; In water; at -5 - 20 ℃;

ethyl 2-chloro-3-oxo-butyrate; With sodium acetate; at 25 ℃; for 2h;

DOI:10.1016/j.bmc.2016.09.024

Reference yield: 81.5%

4-fluoroaniline (371-40-4) + ethyl 2-chloro-3-oxo-butyrate (609-15-4) → [(4-fluorophenyl)-hydrazono]-chloroacetic acid ethyl ester (37522-19-3)

Guidance literature:

4-fluoroaniline; With hydrogenchloride; sodium nitrite; In ethanol; water; at 0 - 5 ℃; for 0.5h;

ethyl 2-chloro-3-oxo-butyrate; With sodium acetate; In ethanol; water; at 0 - 25 ℃;

DOI:10.1016/j.ejmech.2016.07.059

Reference yield:

4-fluorobenzenediazonium tetrafluoroborate (459-45-0) + ethyl 2-chloro-3-oxo-butyrate (609-15-4) → [(4-fluorophenyl)-hydrazono]-chloroacetic acid ethyl ester (37522-19-3)

Guidance literature:

In pyridine; water; at -5 ℃; for 0.5h;

DOI:10.1021/jm901378u

upstream raw materials:

chloroacetic acid ethyl ester

4-fluoroaniline

ethyl 2-chloro-3-oxo-butyrate

4-fluorobenzenediazonium tetrafluoroborate

Downstream raw materials:

1-(4-Fluoro-phenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylic acid diethyl ester

ethyl 4-acetyl-1-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylate

4-(4-Chlorphenyl)-1-(4-fluorphenyl)-5-morpholino-4,5-dihydro-pyrazol-3-carbonsaeure-ethylester

C₁₃H₁₀FN₅O