Iproclozide

Base Information

• Chemical Name: Iproclozide
• CAS No.: 3544-35-2
• Molecular Formula: C11H15 Cl N2 O2
• Molecular Weight: 242.705
• Hs Code.: 2928000090
• European Community (EC) Number: 222-589-5
• UNII: 1II9D6CB3J
• DSSTox Substance ID: DTXSID70188925
• Nikkaji Number: J7.961H
• Wikipedia: Iproclozide
• Wikidata: Q6065438
• NCI Thesaurus Code: C65955
• Metabolomics Workbench ID: 152279
• ChEMBL ID: CHEMBL91238
• Mol file: 3544-35-2.mol

Synonyms:iproclozide;p-(chlorophenoxy)acetic acid 2-isopropylhydrazide

Chemical Property of Iproclozide

Chemical Property:

• Vapor Pressure: 0.000111mmHg at 25°C
• Melting Point: 93-94°
• Refractive Index: 1.5270 (estimate)
• Boiling Point: 336.5°Cat760mmHg
• Flash Point: 157.3°C
• PSA: 53.85000
• Density: 1.175g/cm³
• LogP: 2.97920
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 242.0822054
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

2-(4-CHLOROPHENOXY)-N'-ISOPROPYLACETOHYDRAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NNC(=O)COC1=CC=C(C=C1)Cl

Technology Process of Iproclozide

There total 6 articles about Iproclozide 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: 38.0%

4-Chlorophenoxyacetic acid (122-88-3) + isopropylhydrazine hydrochloride (70629-60-6,73941-11-4,16726-41-3) → 2-(4-chlorophenoxy)-N'-isopropylacetohydrazide (3544-35-2)

Guidance literature:

4-Chlorophenoxyacetic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere;

isopropylhydrazine hydrochloride; With triethylamine; In tetrahydrofuran; N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1039/C9CC00492K

Reference yield:

4-Chlorphenoxy-essigsaeureisopropylidenhydrazid (52095-04-2) → 2-(4-chlorophenoxy)-N'-isopropylacetohydrazide (3544-35-2)

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol;

Reference yield:

4-chloro-phenol (106-48-9,82344-39-6) → 2-(4-chlorophenoxy)-N'-isopropylacetohydrazide (3544-35-2)

Guidance literature:

Multi-step reaction with 4 steps

1: NaOEt / ethanol / Heating

2: N₂H₄*H₂O / ethanol / Heating

4: H₂ / PtO₂ / methanol

With hydrogen; sodium ethanolate; hydrazine hydrate; platinum(IV) oxide; In methanol; ethanol;

upstream raw materials:

4-Chlorphenoxy-essigsaeureisopropylidenhydrazid

ethyl p-chlorophenoxyacetate

4-chloro-phenol

(4-chlorophenoxy)acetic acid hydrazide

Refernces

• 1、 Fulcrand,Berge,Noel,et al.. "Hydrazides as monoamine oxidase inhibitors. Hansch and Free Wilson correlations". . p. 177 - 182. Retrieved 2007/10/09.