2-Hydroxy-3-methylbenzhydrazide

Base Information

• Chemical Name: 2-Hydroxy-3-methylbenzhydrazide
• CAS No.: 30991-42-5
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2928000090
• European Community (EC) Number: 674-173-1
• NSC Number: 97208
• DSSTox Substance ID: DTXSID80184978
• Nikkaji Number: J569.059E
• Wikidata: Q83055929
• Mol file: 30991-42-5.mol

Synonyms:2-Hydroxy-3-methylbenzhydrazide;2-Hydroxy-3-methylbenzohydrazide;30991-42-5;3-Methylsalicylhydrazide;o-Cresotic Hydrazide;NSC97208;o-cresotic acid hydrazide;Oprea1_776601;SCHEMBL7868556;AMY5014;DTXSID80184978;UWNTVIWGDXKENJ-UHFFFAOYSA-N;2-Hydroxy-3-methylbenzohydrazide #;STR05153;BBL016688;MFCD00017052;NSC 97208;NSC-97208;STK430522;AKOS000171325;CS-0197136;FT-0638946;Benzoic acid, 2-hydroxy-3-methyl-, hydrazide;A51067;EN300-1263855;A820681

Chemical Property of 2-Hydroxy-3-methylbenzhydrazide

Chemical Property:

• Melting Point: 190-191°C
• Refractive Index: 1.607
• PKA: 8.78±0.35(Predicted)
• PSA: 75.35000
• Density: 1.262 g/cm³
• LogP: 1.39530
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

2-Hydroxy-3-methylbenzohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-3-methylbenzhydrazide

There total 4 articles about 2-Hydroxy-3-methylbenzhydrazide 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: 86.0%

ethyl 2-hydroxy-3-methylbenzoate (55211-85-3) → 2-hydroxy-3-methyl benzohydrazide (30991-42-5)

Guidance literature:

With hydrazine hydrate; In ethanol; for 18h; Reflux;

DOI:10.13005/ojc/330423

Reference yield:

3-methylsalicylic acid methyl ester (23287-26-5) → 2-hydroxy-3-methyl benzohydrazide (30991-42-5)

Guidance literature:

With hydrazine hydrate;

Reference yield:

3-methylsalicylic acid (83-40-9) → 2-hydroxy-3-methyl benzohydrazide (30991-42-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid

2: hydrazine hydrate / ethanol / Reflux

With sulfuric acid; hydrazine hydrate; In ethanol;

DOI:10.1016/j.bmc.2013.02.008

upstream raw materials:

3-methylsalicylic acid methyl ester

ethyl 2-hydroxy-3-methylbenzoate

3-methylsalicylic acid

Downstream raw materials:

2-Methyl-6-(5-((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)thio)-1,3,4-oxadiazol-2-yl)phenol

6-(5-thio-1,3,4-oxadiazol-2-yl)-2-methylphenol

6,6'-(1,3,4-oxadiazole-2,5-diyl)bis(2-methylphenol)

Refernces

• 1、 Xing, Man,Zhao, Ting-Ting,Ren, Yu-Jia,Peng, Na-Na,Yang, Xian-Hui,Li, Xi,Zhang, Hui,Liu, Gao-Qi,Zhang, Li-Rong,Zhu, Hai-Liang. "Synthesis, biological evaluation, and molecular docking studies of pyrazolyl-acylhydrazone derivatives as novel anticancer agents". . p. 3274 - 3286. Retrieved 2014/06/24.