3-Ethoxybenzhydrazide

Base Information

• Chemical Name: 3-Ethoxybenzhydrazide
• CAS No.: 27830-16-6
• Molecular Formula: C9H12 N2 O2
• Molecular Weight: 180.206
• Hs Code.: 2928009090
• European Community (EC) Number: 674-204-9
• DSSTox Substance ID: DTXSID30182146
• Wikidata: Q83052805
• Mol file: 27830-16-6.mol

Synonyms:3-Ethoxybenzhydrazide;3-Ethoxybenzohydrazide;27830-16-6;m-Ethoxy benzhydrazide;m-ethoxybenzhydrazide;3-Ethoxybenzohydrazide #;3-ethoxybenzenecarbohydrazide;SCHEMBL6154011;DTXSID30182146;Benzoic acid, 3-ethoxy-, hydrazide;BBL037538;MFCD00017063;STK502408;AKOS003956328;MS-9485;CS-0312699;FT-0615632;W18697;A819206

Chemical Property of 3-Ethoxybenzhydrazide

Chemical Property:

• Melting Point: 101 °C
• Boiling Point: °Cat760mmHg
• PKA: 12.25±0.10(Predicted)
• Flash Point: °C
• PSA: 64.35000
• Density: 1.144g/cm³
• LogP: 1.78000
• Water Solubility.: Insoluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.089877630
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

3-Ethoxybenzhydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC(=C1)C(=O)NN
• Uses: 3-Ethoxybenzhydrazide is used as pharmaceutical intermediates.

Technology Process of 3-Ethoxybenzhydrazide

There total 6 articles about 3-Ethoxybenzhydrazide 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: 66.0%

3-ethoxybenzoic acid ethyl ester (5432-17-7) → 3-ethoxybenzoylhydrazide (27830-16-6)

Guidance literature:

With hydrazine hydrate; In ethanol; Reflux;

DOI:10.3390/md12041839

Reference yield:

ethyl-3-hydroxybenzoate (7781-98-8) → 3-ethoxybenzoylhydrazide (27830-16-6)

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-ethoxybenzoylhydrazide (27830-16-6)

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-ethoxybenzoic acid ethyl ester

3-Ethoxybenzoesaeure-methylester

Downstream raw materials:

HOC₆H₄CHNNHCOC₆H₄OC₂H₅