Production Method 1

3113-71-1

914777-97-2

916791-27-0

Reaction Conditions

1.1 Reagents: Hydrochloric acid Solvents: Methanol ,  Water ;  reflux
2.1 Reagents: Benzoyl peroxide ,  N-Bromosuccinimide Solvents: Carbon tetrachloride ;  reflux
3.1 Reagents: Potassium hydroxide ,  Lithium hydroxide Solvents: Methanol ,  Water ;  rt

Reference

Design, synthesis and identification of novel colchicine-derived immunosuppressant

Chang, Dong-Jo; et al, Bioorganic & Medicinal Chemistry Letters, 2009, 19(15), 4416-4420

Production Method 2

88071-90-3

914777-97-2

916791-27-0

Reaction Conditions

1.1 Reagents: Potassium hydroxide ,  Lithium hydroxide Solvents: Methanol ,  Water ;  rt

Reference

Design, synthesis and identification of novel colchicine-derived immunosuppressant

Chang, Dong-Jo; et al, Bioorganic & Medicinal Chemistry Letters, 2009, 19(15), 4416-4420

Production Method 3

24078-21-5

914777-97-2

916791-27-0

Reaction Conditions

1.1 Reagents: Benzoyl peroxide ,  N-Bromosuccinimide Solvents: Carbon tetrachloride ;  reflux
2.1 Reagents: Potassium hydroxide ,  Lithium hydroxide Solvents: Methanol ,  Water ;  rt

Reference

Design, synthesis and identification of novel colchicine-derived immunosuppressant

Chang, Dong-Jo; et al, Bioorganic & Medicinal Chemistry Letters, 2009, 19(15), 4416-4420

3-(Hydroxymethyl)-4-nitrobenzoic acid Raw materials

• 3-Methyl-4-nitrobenzoic acid
• Methyl 3-methyl-4-nitrobenzoate
• Methyl 3-(Bromomethyl)-4-nitrobenzoate

3-(Hydroxymethyl)-4-nitrobenzoic acid Preparation Products

• 3-Bromomethyl-4-Nitro-Benzoic Acid (916791-27-0)
• 3-(Hydroxymethyl)-4-nitrobenzoic acid (914777-97-2)

• 1. Excitable dynamics in the bromate–sulfite–ferrocyanide reaction
  J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
• 2. Fast-Track to Research Data Management in Experimental Material Science-Setting the Ground for Research Group Level Materials Digitalization.
  LarsBanko,AlfredLudwig
• 3. Fate of nitrogen-15 in the subsequent growing season of greenhouse tomato plants (Lycopersicon esculentum Mill) as influenced by alternate partial root-zone irrigation
  Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
• 4. Emerging investigator series: kinetics of diopside reactivity for carbon mineralization in mafic–ultramafic rocks
  BrianaAguila,LandonHardee,H.ToddSchaef,SiavashZare,MohammadJavadAbdolhosseiniQomi,JarrodV.Crum,JadeE.HollimanJr.,ElenaTajueloRodriguez,LawrenceM.Anovitz,KevinM.Rosso,QuinR.S.Miller
• 5. Establishing empirical design rules of nucleic acid templates for the synthesis of silver nanoclusters with tunable photoluminescence and functionalities towards targeted bioimaging applications?
  Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932

• 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

3-(Hydroxymethyl)-4-nitrobenzoic acid (CAS No. 914777-97-2)

3-(Hydroxymethyl)-4-nitrobenzoic acid is a compound with the CAS registry number 914777-97-2. This compound is a derivative of benzoic acid, featuring a hydroxymethyl group at the 3-position and a nitro group at the 4-position of the benzene ring. Its molecular formula is C8H8NO5, and it has a molecular weight of 188.16 g/mol.

The structure of 3-(Hydroxymethyl)-4-nitrobenzoic acid consists of a benzene ring with three substituents: a hydroxymethyl group (-CH2OH) at position 3, a nitro group (-NO2) at position 4, and a carboxylic acid group (-COOH) at position 1 (since benzoic acid is typically numbered with the carboxylic acid at position 1). The presence of these functional groups makes this compound highly versatile in various chemical reactions and applications.

3-(Hydroxymethyl)-4-nitrobenzoic acid is commonly used in organic synthesis as an intermediate for the preparation of more complex molecules. Its hydroxymethyl group can undergo various reactions, such as oxidation to form a carboxylic acid or reduction to form a primary alcohol. The nitro group can be reduced to an amino group, which can then be further modified in subsequent reactions.

Recent studies have highlighted the potential of 3-(Hydroxymethyl)-4-nitrobenzoic acid in drug discovery and development. Researchers have explored its role as a precursor for bioactive compounds, particularly in the synthesis of anti-inflammatory and anticancer agents. The compound's ability to form hydrogen bonds due to its hydroxyl and carboxylic acid groups makes it an interesting candidate for drug design, where such interactions are crucial for molecular recognition and binding affinity.

In addition to its role in organic synthesis, 3-(Hydroxymethyl)-4-nitrobenzoic acid has been studied for its electrochemical properties. It has been used as an electrode material in supercapacitors due to its high surface area and redox activity. The nitro group contributes to the compound's redox properties, making it suitable for applications in energy storage devices.

The synthesis of 3-(Hydroxymethyl)-4-nitrobenzoic acid typically involves multi-step processes starting from benzoic acid derivatives. One common approach involves nitration followed by hydroxylation or alkylation to introduce the hydroxymethyl group. These reactions require precise control over reaction conditions, such as temperature and pH, to ensure high yields and purity.

From an environmental perspective, the degradation pathways of 3-(Hydroxymethyl)-4-nitrobenzoic acid have been studied to assess its potential impact on ecosystems. Research indicates that under aerobic conditions, the compound undergoes microbial degradation, primarily through oxidation of the nitro group and cleavage of the aromatic ring.

In conclusion, 3-(Hydroxymethyl)-4-nitrobenzoic acid (CAS No. 914777-97-2) is a versatile compound with applications ranging from organic synthesis to materials science and drug discovery. Its unique combination of functional groups makes it a valuable building block for constructing complex molecules with diverse biological and chemical properties.

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