3,5-Dimethylbenzohydrazide

Base Information

• Chemical Name: 3,5-Dimethylbenzohydrazide
• CAS No.: 27389-49-7
• Molecular Formula: C9H12 N2 O
• Molecular Weight: 164.207
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID00397447
• Wikidata: Q82198790
• Mol file: 27389-49-7.mol

Synonyms:3,5-dimethylbenzohydrazide;27389-49-7;3,5-Dimethyl-benzoic acid hydrazide;3,5-dimethylbenzhydrazide;SCHEMBL6151752;DTXSID00397447;JAXXNYJSWNHITI-UHFFFAOYSA-N;BBL016574;MFCD01993717;STK424596;AKOS000147726;VS-05378;CS-0037911;FT-0718656;W11711

Chemical Property of 3,5-Dimethylbenzohydrazide

Chemical Property:

• Refractive Index: 1.561
• PKA: 12.74±0.10(Predicted)
• PSA: 55.12000
• Density: 1.098g/cm³
• LogP: 1.99810
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

3,5-dimethylbenzohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)C(=O)NN)C

Technology Process of 3,5-Dimethylbenzohydrazide

There total 5 articles about 3,5-Dimethylbenzohydrazide 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: 94.0%

methyl 3,5-dimethylbenzoate (25081-39-4) → 3,5-dimethylbenzohydrazide (27389-49-7)

Guidance literature:

With hydrazine hydrate; In methanol; for 48h;

DOI:10.1246/cl.170970

Reference yield:

3,5-dimethylbenzoic acid, ethyl ester (21239-29-2) → 3,5-dimethylbenzohydrazide (27389-49-7)

Guidance literature:

With hydrazine hydrate;

DOI:10.1021/jf0208029

Reference yield:

3,5-dimethylbenzoyl chloride (6613-44-1) → 3,5-dimethylbenzohydrazide (27389-49-7)

Guidance literature:

With hydrazine hydrate; In ethanol; at 80 ℃;

DOI:10.1016/j.bmcl.2010.01.012

upstream raw materials:

3,5-dimethylbenzoic acid, ethyl ester

3,5-dimethylbenzoyl chloride

methyl 3,5-dimethylbenzoate

3,5-dimethylbenzoic acid

Downstream raw materials:

3,5-dimethyl-benzoic acid N'-chloroacetyl-hydrazide

cyclopropanecarboxylic acid N'-(3,5-dimethylbenzoyl)hydrazide

5-(3,5-dimethylphenyl)-2-(chloromethyl)-1,3,4-oxadiazole

2-(3,5-bis-trichloromethyl-phenyl)-5-trichloromethyl-[1,3,4]oxadiazole