Ethychlozate

Base Information

• Chemical Name: Ethychlozate
• CAS No.: 27512-72-7
• Molecular Formula: C11H11ClN2O2
• Molecular Weight: 238.67
• Hs Code.: 2933998090
• European Community (EC) Number: 608-105-9
• UNII: QT5JH0420U
• DSSTox Substance ID: DTXSID50181939
• Nikkaji Number: J9.161H
• Wikidata: Q27155609
• Mol file: 27512-72-7.mol

Synonyms:ethychlozate;ethyl 5-chloro-1H-indazole-3-acetate;Figaron;IZAA cpd

Chemical Property of Ethychlozate

Chemical Property:

• Vapor Pressure: 0.00556mmHg at 25°C
• Melting Point: 77 °C
• Refractive Index: 1.621
• Boiling Point: 274 °C at 760 mmHg
• PKA: 12.41±0.40(Predicted)
• Flash Point: 119.5 °C
• Density: 1.353 g/cm³
• Storage Temp.: 0-6°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 238.0509053
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

Ethychlozate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 20-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)CC1=C2C=C(C=CC2=NN1)Cl

Technology Process of Ethychlozate

There total 4 articles about Ethychlozate 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: 71.0%

ethanol (64-17-5) + (5-Chloro-1H-indazol-3-yl)acetic acid (27328-68-3) → ethyl 5-chloro-1H-indazol-3-ylacetate (27512-72-7)

Guidance literature:

With sulfuric acid; for 4h; Heating;

DOI:10.1021/jm00090a002

Reference yield:

5-chloro-2-nitrobenzaldehyde (6628-86-0) → ethyl 5-chloro-1H-indazol-3-ylacetate (27512-72-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) formic acid, 2.) ammonium formate, 3.) conc. HCl

2: 89 percent / 1.) 5percent aq. NaOH, 2.) hydrazine hydrate / 2.) Raney nickel / 0.5 h / 80 °C

3: 71 percent / conc. H₂SO₄ / 4 h / Heating

With hydrogenchloride; sodium hydroxide; formic acid; sulfuric acid; ammonium formate; hydrazine hydrate; nickel;

DOI:10.1021/jm00090a002

Reference yield:

3-amino-3-(3-chloro-6-nitrophenyl)propionic acid (63235-32-5) → ethyl 5-chloro-1H-indazol-3-ylacetate (27512-72-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / 1.) 5percent aq. NaOH, 2.) hydrazine hydrate / 2.) Raney nickel / 0.5 h / 80 °C

2: 71 percent / conc. H₂SO₄ / 4 h / Heating

With sodium hydroxide; sulfuric acid; hydrazine hydrate; nickel;

DOI:10.1021/jm00090a002

upstream raw materials:

ethanol

(5-Chloro-1H-indazol-3-yl)acetic acid

5-chloro-2-nitrobenzaldehyde

3-amino-3-(3-chloro-6-nitrophenyl)propionic acid

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