3-Methyl-4-nitrobenzohydrazide

Base Information

• Chemical Name: 3-Methyl-4-nitrobenzohydrazide
• CAS No.: 72198-83-5
• Molecular Formula: C8H9 N3 O3
• Molecular Weight: 195.178
• Hs Code.: 2928000090
• European Community (EC) Number: 623-443-7
• DSSTox Substance ID: DTXSID60391300
• Nikkaji Number: J2.790.988D
• Wikidata: Q82188677
• Mol file: 72198-83-5.mol

Synonyms:3-methyl-4-nitrobenzohydrazide;72198-83-5;3-Methyl-4-nitrobenzhydrazide;3-methyl-4-nitrobenzene-1-carbohydrazide;Benzoicacid, 3-methyl-4-nitro-, hydrazide;Maybridge1_006277;SCHEMBL5180766;HMS559F07;DTXSID60391300;SMRIMKXHORAHJR-UHFFFAOYSA-N;BBL036134;CCG-41791;MFCD00220059;STK082873;3-Methyl-4-nitrobenzhydrazide, 97%;AKOS000155844;AS-60366;CS-0313910;FT-0616089;A866302;SR-01000631842-1

Chemical Property of 3-Methyl-4-nitrobenzohydrazide

Chemical Property:

• Melting Point: 147-149oC
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 100.94000
• Density: 1.345g/cm³
• LogP: 2.12110
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.06439116
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

3-Methyl-4-nitrobenzhydrazide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)NN)[N+](=O)[O-]

Technology Process of 3-Methyl-4-nitrobenzohydrazide

There total 2 articles about 3-Methyl-4-nitrobenzohydrazide 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: 92.4%

→ 3-methyl-4-nitrobenzoylhydrazine (72198-83-5)

Guidance literature:

With hydrazine hydrate; In ethanol; for 2h; Reflux;

Reference yield: 78.0%

methyl 3-methyl-4-nitrobenzoate (24078-21-5) → 3-methyl-4-nitrobenzoylhydrazine (72198-83-5)

Guidance literature:

methyl 3-methyl-4-nitrobenzoate; In ethanol;

With hydrazine hydrate; In water; at 90 ℃; for 48h;

Reference yield: 93.0%

cyclopentanecarboxylic acid (3400-45-1) + 3-methyl-4-nitrobenzoylhydrazine (72198-83-5) → 2-cyclopentyl-5-(3-methyl-4-nitrophenyl)-1,3,4-thiadiazole (1201594-84-4)

Guidance literature:

With tetraphosphorus decasulfide; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In ethyl acetate; at 80 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2009.09.114

upstream raw materials:

methyl 3-methyl-4-nitrobenzoate

Downstream raw materials:

diethyl N-(3-methyl-4-nitrobenzoyl)-L-glutamate

N-<4-(N'-(2,4-diaminopteridin-6-ylmethyl)amino)-3-methylbenzoyl>-L-glutamic acid

N'-(2,2-dimethylpropanoyl)-3-methyl-4-nitrobenzhydrazide

2-cyclopentyl-5-(3-methyl-4-nitrophenyl)-1,3,4-thiadiazole