4-Methylbenzohydrazide

Base Information

• Chemical Name: 4-Methylbenzohydrazide
• CAS No.: 3619-22-5
• Molecular Formula: C8H10N2O
• Molecular Weight: 150.18
• Hs Code.: 29280090
• European Community (EC) Number: 222-815-2
• NSC Number: 61567
• UNII: M48968U0YD
• DSSTox Substance ID: DTXSID30189756
• Nikkaji Number: J124.088I
• Wikidata: Q27283476
• ChEMBL ID: CHEMBL4126349
• Mol file: 3619-22-5.mol

Synonyms:4-Methylbenzohydrazide;3619-22-5;p-Toluic hydrazide;p-Toluic acid hydrazide;p-Toluoylhydrazine;p-Toluohydrazide;p-Toluic acid, hydrazide;4-Methylbenzoic acid hydrazide;p-Methylbenzohydrazide;Benzoic acid, 4-methyl-, hydrazide;p-Methylbenzoylhydrazine;4-Methylbenzoylhydrazine;4-Toluic acid hydrazide;p-Methylbenzoic acid hydrazide;4-Toluic hydrazide;4-Methylbenzhydrazide;4-Methylbenzoylhydrazide;MFCD00007607;NSC 61567;(4-Methylbenzoyl)hydrazine;UNII-M48968U0YD;4-Methyl-benzoic acid hydrazide;M48968U0YD;EINECS 222-815-2;NSC-61567;AI3-32891;P-TOLUICHYDRAZIDE;4-TOLUIHYDRAZIDE;4-Methylbenzohydrazide #;p-Toluic hydrazide, 99%;SCHEMBL136524;P-METHYLBENZOYL HYDRAZIDE;CHEMBL4126349;SCHEMBL13355567;4-METHYLBENZOIC HYDRAZIDE;DTXSID30189756;NSC61567;AC8686;STK061942;AKOS000194932;FS-3956;SB85911;SY048426;AM20040278;BB 0240648;CS-0096272;FT-0634935;M2846;4-METHYLBENZENECARBOXYLIC ACID HYDRAZIDE;A823159;Q27283476;Z58981877;F1993-0008

Chemical Property of 4-Methylbenzohydrazide

Chemical Property:

• Appearance/Colour: White to slightly brown crystalline powder
• Melting Point: 116-118 °C(lit.)
• Refractive Index: 1.568
• Boiling Point: 271.72°C (rough estimate)
• PKA: 12.80±0.10(Predicted)
• PSA: 55.12000
• Density: 1.127 g/cm³
• LogP: 1.68970
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methylbenzohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methylbenzohydrazide

There total 24 articles about 4-Methylbenzohydrazide 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: 87.0%

para-methylbenzamide (619-55-6) → p-toluic hydrazide (3619-22-5)

Guidance literature:

With silica gel; hydrazine; In neat (no solvent); at 130 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tet.2015.10.016

Reference yield: 80.0%

2,2,2-trichloro-1-(4-methylphenyl)ethanone (36930-95-7) → p-toluic hydrazide (3619-22-5)

Guidance literature:

With hydrazine hydrate; In hexane; for 0.5h; Ambient temperature;

Reference yield:

4-nitrophenyl 4-methylbenzoate (15023-67-3) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + p-toluic hydrazide (3619-22-5)

Guidance literature:

With hydrazine; In water; dimethyl sulfoxide; at 25 ℃; Rate constant;

DOI:10.1139/cjc-76-6-729

upstream raw materials:

p-methylbenzoic anhydride

4-methyl-benzoic acid methyl ester

4-methylbenzoic acid ethyl ester

2,2,2-trichloro-1-(4-methylphenyl)ethanone

Downstream raw materials:

N’-acetyl-4-methylbenzohydrazide

N'-(4-methylbenzylidene)-4-methylbenzohydrazide

4-methylbenzoic acid (2-hydroxybenzylidene)-hydrazide

2-p-tolyl-1,3,4-oxadiazole

Refernces

• 1、 Turky, Abdallah,Sherbiny, Farag F.,Bayoumi, Ashraf H.,Ahmed, Hany E. A.,Abulkhair, Hamada S.. "Novel 1,2,4-triazole derivatives: Design, synthesis, anticancer evaluation, molecular docking, and pharmacokinetic profiling studies". . . Retrieved 2020.
• 2、 -. "Oxazole ring-containing honokiol thioether derivative and preparation method and application thereof". Paragraph 0042; 0045-0046. . Retrieved 2021/08/11.
• 3、 Wang, Yi-Jie,Zhang, Guo-Yu,Shoberu, Adedamola,Zou, Jian-Ping. "Iron-catalyzed oxidative amidation of acylhydrazines with amines". supporting information. . Retrieved 2021/08/18.