3-Isopropoxybenzohydrazide

Base Information

• Chemical Name: 3-Isopropoxybenzohydrazide
• CAS No.: 350989-60-5
• Molecular Formula: C₁₀H₁₄N₂O₂
• Molecular Weight: 194.233
• Hs Code.: 2928000090
• European Community (EC) Number: 673-143-5
• NSC Number: 60383
• DSSTox Substance ID: DTXSID90289347
• Wikidata: Q82026608
• Mol file: 350989-60-5.mol

Synonyms:3-isopropoxybenzohydrazide;350989-60-5;3-propan-2-yloxybenzohydrazide;3-(propan-2-yloxy)benzohydrazide;NSC60383;3-iso-propoxy-benzoic acid hydrazide;Oprea1_300086;DTXSID90289347;3-Isopropoxy-benzoic acid hydrazide;BBL016077;MFCD01922067;NSC-60383;STK315677;AKOS003267948;SB86366;VS-05127;CS-0314083;AK-968/40355793

Chemical Property of 3-Isopropoxybenzohydrazide

Chemical Property:

• PKA: 12.29±0.10(Predicted)
• PSA: 64.35000
• Density: 1.114g/cm³
• LogP: 2.16850
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.105527694
• Heavy Atom Count: 14
• Complexity: 195

Purity/Quality:

98%Min ^*data from raw suppliers

3-isopropoxybenzohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=CC(=C1)C(=O)NN

Technology Process of 3-Isopropoxybenzohydrazide

There total 3 articles about 3-Isopropoxybenzohydrazide 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: 75.0%

3-Isopropoxy-benzoic acid ethyl ester (205045-49-4) → 3-isopropoxybenzoylhydrazide (350989-60-5)

Guidance literature:

With hydrazine hydrate; In ethanol; Reflux;

DOI:10.3390/md12041839

Reference yield:

ethyl-3-hydroxybenzoate (7781-98-8) → 3-isopropoxybenzoylhydrazide (350989-60-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 20 °C

2: hydrazine hydrate / ethanol / Reflux

With hydrazine hydrate; potassium carbonate; In ethanol; N,N-dimethyl-formamide;

DOI:10.3390/md12041839

Reference yield:

3-Carboxyphenol (99-06-9) → 3-isopropoxybenzoylhydrazide (350989-60-5)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride / 16 h / Reflux

2: potassium carbonate / N,N-dimethyl-formamide / 20 °C

3: hydrazine hydrate / ethanol / Reflux

With hydrogenchloride; hydrazine hydrate; potassium carbonate; In ethanol; N,N-dimethyl-formamide;

DOI:10.3390/md12041839

upstream raw materials:

3-Carboxyphenol

ethyl-3-hydroxybenzoate

3-Isopropoxy-benzoic acid ethyl ester

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