Production Method 1

99-94-5

96-98-0

Reaction Conditions

1.1 Reagents: Phosphorus pentoxide ,  Iron nitrate (Fe(NO3)3) nonahydrate ;  6 h

Reference

Nitration of deactivated aromatic compounds via mechanochemical reaction

Wu, Jian-Wei; Zhang, Pu; Guo, Zhi-Xin, Tetrahedron Letters, 2021, 72,

Production Method 2

99-94-5

96-98-0

Reaction Conditions

1.1 Reagents: Ammonium nitrate Solvents: Dichloromethane ;  10 - 15 min, rt
1.2 Reagents: Sulfuric acid ;  10 - 15 min, 0 °C; 4 - 5 h, rt
1.3 Reagents: Water ;  rt

Reference

Synthesis and characterization of quinazolinobenzodiazepine-benzothiazole hybrid derivatives

Srinivas, B.; Devi, N. Saritha; Sreenivasulu, G. K.; Parameshwar, R., Pharma Chemica, 2015, 7(5), 251-256

Production Method 3

99-94-5

96-98-0

Reaction Conditions

1.1 Reagents: Nitric acid Catalysts: (OC-6-11)-Tris[1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl-κO]methanesulfonamid… Solvents: 1,2-Dichloroethane ,  Water

Reference

Counterion effects in indium-catalysed aromatic electrophilic substitution reactions

Frost, Christopher G.; Hartley, Joseph P.; Griffin, David, Tetrahedron Letters, 2002, 43(27), 4789-4791

Production Method 4

99-94-5

96-98-0

Reaction Conditions

1.1 Reagents: Sulfuric acid ,  Nitric acid Solvents: Water ;  < 5 °C; 0.5 h, < 5 °C
1.2 Reagents: Water ;  cooled

Reference

Synthesis and Na+/H+ exchanger 1 inhibitory activity of substituted benzoylguanidine-trimetazidine conjugates

Du, Ping; Zhang, Di; Zhang, Guomin; Ren, Shujuan; Gong, Guoqing; et al, Zhongguo Yaoke Daxue Xuebao, 2011, 42(1), 22-28

Production Method 5

96-98-0

Reaction Conditions

Reference

Orally active zwitterionic factor Xa inhibitors with long duration of action

Mochizuki, Akiyoshi; Nagata, Tsutomu; Kanno, Hideyuki; Takano, Daisuke; Kishida, Masamichi; et al, Bioorganic & Medicinal Chemistry Letters, 2011, 21(24), 7337-7343

Production Method 6

96-98-0

Reaction Conditions

Reference

Reactions of dimercaptomaleic acid derivatives. VI. Oxidative degradation of 1-benzoyl-1-carboxy-3,6-dithia-1-cyclohexene derivatives

Hahn, Witold E.; Wojciechowski, Lech, Lodzkie Towarzystwo Naukowe, 1967, (1967), 61-8

Production Method 7

89-58-7

96-98-0

27329-27-7

610-29-7

Reaction Conditions

1.1 Reagents: Oxygen Catalysts: Manganese diacetate ,  Cobalt dibromide Solvents: Acetic acid ;  40 min, 0.4 MPa, 138 °C
1.2 Reagents: Nitric acid Solvents: Water ;  3 h, 0.12 MPa, 112 °C

Reference

Green preparation of monosubstituted methylbenzoic acid and monosubstituted phthalic acid

, China, , ,

Production Method 8

99-94-5

96-98-0

Reaction Conditions

1.1 Reagents: Ammonium nitrate Solvents: Dichloromethane ;  10 min
1.2 Reagents: Sulfuric acid ;  0.25 h, 0 °C; 2 - 5 h, rt
1.3 Reagents: Water ;  cooled; rt

Reference

Hybrids of privileged structures benzothiazoles and pyrrolo[2,1-c][1,4]benzodiazepin-5-one, and diversity-oriented synthesis of benzothiazoles

Subhas Bose, D.; Idrees, Mohd.; Todewale, Ismail K.; Jakka, N. M.; Venkateswara Rao, J., European Journal of Medicinal Chemistry, 2012, 50, 27-38

Production Method 9

99-94-5

96-98-0

Reaction Conditions

1.1 Reagents: Sulfuric acid ,  Nitric acid Solvents: Dichloromethane ;  5 h

Reference

Facile Synthesis of N-((Benzyl-1H-1,2,3-Triazol-5-yl)Methyl)-4-(6-Methoxybenzo[d]Thiazol-2-yl)-2-Nitrobenzamides via Click Chemistry

Yarlagadda, Bharath; Devunuri, Nagaraj; Mandava, V. Basaveswara Rao, Journal of Heterocyclic Chemistry, 2017, 54(2), 864-870

Production Method 10

99-94-5

96-98-0

Reaction Conditions

1.1 Reagents: Sulfuric acid ,  Nitric acid Solvents: Water ;  10 min, 0 °C; 30 min, 0 °C
1.2 Reagents: Sulfuric acid ;  45 min, 0 °C; 1 h, 10 - 20 °C
1.3 Reagents: Water ;  cooled

Reference

Preparation of spirocyclic amides as bradykinin receptor modulators

, World Intellectual Property Organization, , ,

Production Method 11

99-94-5

96-98-0

Reaction Conditions

1.1 Reagents: Potassium nitrate

Reference

Nitration of some substituted aromatic compounds with potassium nitrate in polyphosphoric acid

Iqbal, Rashid; Rama, Nasim Hasan; Haq, Muhammad Zia Ul; Madhwa, Farag Ali, Journal of the Chemical Society of Pakistan, 1997, 19(2), 141-144

Production Method 12

99-94-5

96-98-0

Reaction Conditions

1.1 Reagents: Sulfuric acid ,  Nitric acid ;  heated

Reference

Synthesis and evaluation of properties of poly(p-phenylenevinylene) based 1,3,4-oxadiazole systems for optoelectronics and nonlinear optical applications

Kaippamangalath, Nimisha; Gopalakrishnapanicker, Unnikrishnan, Polymer International, 2016, 65(10), 1221-1231

Production Method 13

159583-82-1

96-98-0

Reaction Conditions

1.1 Reagents: Sodium hydroxide

Reference

Alkaline C-S bond cleavage of some (arylthio)methylbenzoates

El-Hegazy, Fatma El-Zahraa M.; El-Bardan, Ali A.; Hamed, Ezzat A., Phosphorus, 1994, 88(1-4), 113-22

Production Method 14

99-94-5

96-98-0

Reaction Conditions

1.1 Reagents: Sulfuric acid ,  Nitric acid

Reference

Neurotropic and psychotropic agents. CXII. Synthesis of the 3-hydroxy-4-methyl derivative of amphetamine

Valenta, V.; Protiva, M., Collection of Czechoslovak Chemical Communications, 1977, 42(7), 2240-5

Production Method 15

96-98-0

Reaction Conditions

Reference

Synthesis of Nitroaromatic Compounds as Potential Anticancer Agents

Lopes, Marcela Silva; Sena, Camila Filizzola de Andrade; Silva, Bruno Leonardo; de Souza, Cristina Maria; Ramos, Jonas Pereira; et al, Anti-Cancer Agents in Medicinal Chemistry, 2015, 15(2), 206-216

Production Method 16

96-98-0

Reaction Conditions

Reference

Benzene derivatives [(tetrazolylbiphenylyl)-substituted benzoic acid morpholides and analogs] for treatment of kidney disease, and pharmaceutical compositions containing them

, European Patent Organization, , ,

Production Method 17

96-98-0

Reaction Conditions

Reference

Nitration of p-toluic acid

Gracheva, I. N.; Tochilkin, A. I., Khimiko-Farmatsevticheskii Zhurnal, 1980, 14(10),

Production Method 18

96-98-0

Reaction Conditions

Reference

Plant growth-regulating 2-methyl-3-nitrobenzate esters

, Federal Republic of Germany, , ,

Production Method 19

99-94-5

96-98-0

65-85-0

619-66-9

Reaction Conditions

1.1 Reagents: Ceric ammonium nitrate Solvents: Trifluoroacetic acid ,  Water

Reference

Oxidation by metal salts. IV. Cerium(IV) salt-promoted oxidative halogenation of toluene and para-substituted toluenes containing electron-withdrawing groups in aqueous trifluoroacetic acid solutions

Makhon'kov, D. I.; Cheprakov, A. V.; Rodkin, M. A.; Mil'chenko, A. Yu.; Beletskaya, I. P., Zhurnal Organicheskoi Khimii, 1986, 22(1), 30-9

Production Method 20

536-50-5

96-98-0

99-94-5

21443-49-2

Reaction Conditions

1.1 Reagents: Phosphorus pentoxide ,  Ferric nitrate ;  2 h, rt

Reference

A mechanochemical domino reaction: From α-methylbenzyl alcohols to diacylfuroxans

Lu, Li-Yu; Zhang, Pu; Qin, Yu-Jun; Guo, Zhi-Xin, Results in Chemistry, 2022, 4,

4-Methyl-3-nitrobenzoic acid Raw materials

• 1-(4-methylphenyl)ethan-1-ol
• 2,5-Dimethylnitrobenzene
• 4-Methylbenzoic acid
• Methyl 4-[[(4-chlorophenyl)thio]methyl]-3-nitrobenzoate

4-Methyl-3-nitrobenzoic acid Preparation Products

• 4-Methyl-2-nitrobenzoic acid (27329-27-7)
• Benzoic acid (65-85-0)
• 4-Methyl-3-nitrobenzoic acid (96-98-0)
• 4-Methylbenzoic acid (99-94-5)
• 2-nitrobenzene-1,4-dicarboxylic acid (610-29-7)
• 4-Carboxybenzaldehyde (619-66-9)
• Methanone, (2-oxido-1,2,5-oxadiazole-3,4-diyl)bis[(4-methylphenyl)- (21443-49-2)

• 1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?
  Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
• 2. An artificial photosynthetic system for photoaccumulation of two electrons on a fused dipyridophenazine (dppz)–pyridoquinolinone ligand?
  Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
• 3. An artificial CO-releasing metalloprotein built by histidine-selective metallation?
  Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
• 4. An amino group functionalized metal–organic framework as a luminescent probe for highly selective sensing of Fe3+ ions?
  Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
• 5. An automatic determination of thoria in thoria-urania mixtures
  Analyst, 1966,91, 208-210

• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Nitrobenzoic acids and derivatives
• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Nitrobenzoic acids and derivatives
• Solvents and Organic Chemicals Organic Compounds Acids/Esters

4-Methyl-3-nitrobenzoic Acid (CAS 96-98-0): Properties, Applications, and Market Insights

4-Methyl-3-nitrobenzoic acid (CAS 96-98-0) is a versatile organic compound with significant applications in pharmaceuticals, agrochemicals, and specialty chemicals. This aromatic carboxylic acid derivative is characterized by the presence of a methyl group and a nitro group on the benzene ring, which impart unique chemical properties. The compound is also known by synonyms such as 3-nitro-4-methylbenzoic acid and 4-methyl-3-nitrobenzoate, making it a subject of interest in various research fields.

The molecular formula of 4-methyl-3-nitrobenzoic acid is C₈H₇NO₄, with a molecular weight of 181.15 g/mol. It typically appears as a yellow crystalline powder with a melting point ranging from 145°C to 148°C. The compound is sparingly soluble in water but dissolves well in organic solvents like ethanol, methanol, and dimethyl sulfoxide (DMSO). Its acidic nature and electron-withdrawing nitro group make it a valuable intermediate in organic synthesis.

One of the primary applications of 4-methyl-3-nitrobenzoic acid is in the pharmaceutical industry, where it serves as a building block for the synthesis of active pharmaceutical ingredients (APIs). Researchers have explored its use in developing anti-inflammatory agents and antimicrobial compounds, aligning with the growing demand for novel therapeutics. Additionally, its derivatives are investigated for potential anticancer properties, a hot topic in modern drug discovery.

In agrochemicals, 4-methyl-3-nitrobenzoic acid is utilized in the production of herbicides and pesticides. Its structural features allow for the design of compounds that target specific plant pathogens, contributing to sustainable agriculture practices. The rise of green chemistry and eco-friendly agrochemicals has further increased interest in this compound, as researchers seek to minimize environmental impact.

The market for 4-methyl-3-nitrobenzoic acid is influenced by trends in the pharmaceutical and agrochemical sectors. With the global emphasis on precision medicine and customized therapeutics, the demand for high-purity intermediates like this compound is expected to grow. Manufacturers are focusing on scalable synthesis methods and cost-effective production to meet industry needs.

From a synthetic chemistry perspective, 4-methyl-3-nitrobenzoic acid is often prepared through the nitration of 4-methylbenzoic acid, followed by purification steps. Recent advancements in catalytic processes and flow chemistry have improved the efficiency of its production, reducing waste and energy consumption. These innovations align with the broader goals of sustainable chemistry and circular economy initiatives.

Quality control is critical for 4-methyl-3-nitrobenzoic acid, with analytical techniques such as high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy ensuring purity and consistency. Regulatory compliance, including adherence to Good Manufacturing Practices (GMP), is essential for suppliers catering to the pharmaceutical industry.

In research settings, 4-methyl-3-nitrobenzoic acid is frequently employed as a standard or reference material. Its well-defined properties make it useful for method development in analytical chemistry. The compound’s stability under various conditions also makes it a reliable choice for long-term studies and benchmarking experiments.

Future prospects for 4-methyl-3-nitrobenzoic acid include potential applications in material science and nanotechnology. Researchers are exploring its use in designing functional materials with tailored properties, such as conductive polymers or sensors. The integration of this compound into advanced materials could open new avenues for innovation.

For those sourcing 4-methyl-3-nitrobenzoic acid, it is important to partner with reputable suppliers who provide detailed technical data sheets (TDS) and material safety data sheets (MSDS). Transparency in sourcing and production processes ensures compliance with international standards and fosters trust in the supply chain.

In summary, 4-methyl-3-nitrobenzoic acid (CAS 96-98-0) is a multifaceted compound with broad applicability across industries. Its role in pharmaceuticals, agrochemicals, and research underscores its importance in modern chemistry. As scientific and industrial trends evolve, this compound is poised to remain a key player in the development of innovative solutions.

• 3113-71-1(3-Methyl-4-nitrobenzoic acid)
• 610-28-6(2,5-dinitrobenzoic acid)
• 16533-71-4(3,5-Dinitro-4-methylbenzoic Acid)
• 610-29-7(2-nitrobenzene-1,4-dicarboxylic acid)
• 220504-75-6(2,4-Dimethyl-5-nitrobenzoic acid)
• 27022-97-5(2,5-Dimethyl-3-nitrobenzoic acid)
• 13280-60-9(5-Amino-2-nitrobenzoic acid)
• 1975-50-4(2-Methyl-3-nitrobenzoic acid)
• 204254-63-7(5-Amino-4-methyl-2-nitrobenzoic acid)
• 3095-38-3(3,5-Dimethyl-4-nitrobenzoic acid)