2,4-Dimethylbenzohydrazide

Base Information

• Chemical Name: 2,4-Dimethylbenzohydrazide
• CAS No.: 85304-03-6
• Molecular Formula: C9H12N2O
• Molecular Weight: 164.207
• Hs Code.: 2928000090
• European Community (EC) Number: 852-891-8
• UNII: AB7QE3JA5X
• DSSTox Substance ID: DTXSID30406617
• Wikidata: Q82211674
• Mol file: 85304-03-6.mol

Synonyms:2,4-dimethylbenzohydrazide;85304-03-6;AB7QE3JA5X;2,4-Dimethylbenzoic hydrazide;SCHEMBL5504399;DTXSID30406617;NGKSZOHPTXLODW-UHFFFAOYSA-N;2,4-Dimethylbenzoic acid hydrazide;Benzene, 1-ethynyl-2,3-dimethyl-;MFCD06684183;STL253541;AKOS000200291;BS-3888;Benzoic acid, 2,4-dimethyl-, hydrazide;CS-0237536;FT-0744613;EN300-18502

Chemical Property of 2,4-Dimethylbenzohydrazide

Chemical Property:

• Melting Point: 120-122 °C(Solv: dichloromethane (75-09-2))
• PKA: 12.91±0.10(Predicted)
• PSA: 58.61000
• Density: 1.098g/cm³
• LogP: 2.18200
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

98%Min ^*data from raw suppliers

2,4-dimethylbenzohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dimethylbenzohydrazide

There total 6 articles about 2,4-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: 100.0%

2,4-dimethyl-benzoic acid methyl ester (23617-71-2) → 2,4-dimethylbenzoylhydrazide (85304-03-6)

Guidance literature:

With hydrazine; In methanol; for 40h; Heating / reflux;

Reference yield: 68.0%

2,4-dimethylbenzoic acid ethyl ester (33499-42-2) → 2,4-dimethylbenzoylhydrazide (85304-03-6)

Guidance literature:

With hydrazine hydrate; for 4h; Reflux;

Reference yield:

2,4-dimethyl-benzoic acid (611-01-8) → 2,4-dimethylbenzoylhydrazide (85304-03-6)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / 2 h / Heating

2: Et₃N / CH₂Cl₂ / 2 h

3: 37percent aq. HCl / 0.5 h

With hydrogenchloride; thionyl chloride; triethylamine; In dichloromethane;

DOI:10.1021/jm00362a018

upstream raw materials:

N'-(2,4-Dimethyl-benzoyl)-hydrazinecarboxylic acid tert-butyl ester

2,4-dimethylbenzoyl chloride

2,4-dimethyl-benzoic acid

2,4-dimethyl-benzoic acid methyl ester

Downstream raw materials:

C₁₆H₁₇N₃OS

C₁₆H₁₅N₃O

C₁₇H₁₇N₃O₂

C₁₇H₁₉N₃O₂S

Refernces

• 1、 Yu, Gang,Chen, Shunhong,He, Feng,Luo, Dexia,Zhang, Yu,Wu, Jian. "Synthesis and bioactivity of sulfide derivatives containing 1,3,4-oxadiazole and pyridine". . p. 1075 - 1085. Retrieved 2019/09/10.
• 2、 -. "Tirfluoromethylpyridine oxadiazoles (ether)derivative and application thereof". . . Retrieved 2018/07/30.