4-HYDROXY-3-NITROBENZYL ALCOHOL

Base Information

• Chemical Name: 4-HYDROXY-3-NITROBENZYL ALCOHOL
• CAS No.: 41833-13-0
• Molecular Formula: C7H7NO4
• Molecular Weight: 169.137
• Hs Code.: 2908999090
• Mol file: 41833-13-0.mol

Synonyms:2-Nitro-4-hydroxymethylphenol;4-Hydroxy-3-nitrobenzyl alcohol;4-Hydroxymethyl-2-nitrophenol;

Chemical Property of 4-HYDROXY-3-NITROBENZYL ALCOHOL

Chemical Property:

• Appearance/Colour: bright yellow to light brown powder
• Vapor Pressure: 3.13E-05mmHg at 25°C
• Melting Point: 94-98 °C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 341.3 °C at 760 mmHg
• PKA: 6.97±0.14(Predicted)
• Flash Point: 156.6 °C
• PSA: 86.28000
• Density: 1.489g/cm³
• LogP: 1.31590
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

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

4-Hydroxy-3-nitrobenzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22-36
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Hydroxy-3-nitrobenzyl Alcohol is used in preparation of monoclonal IgG4 anti-human MET antibody and drug conjugates for cancer therapy.

Technology Process of 4-HYDROXY-3-NITROBENZYL ALCOHOL

There total 24 articles about 4-HYDROXY-3-NITROBENZYL ALCOHOL 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: 100.0%

3-nitro-4-hydroxybenzoic acid (616-82-0) → 4-hydroxymethyl-2-nitrophenol (41833-13-0)

Guidance literature:

With borane-THF; boron trifluoride diethyl etherate; In tetrahydrofuran; for 18h;

DOI:10.1002/chem.201404690

Reference yield: 98.0%

4-hydroxy-3-nitrobenzaldehyde (3011-34-5) → 4-hydroxymethyl-2-nitrophenol (41833-13-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 0.5h;

DOI:10.1021/ja00150a002

Reference yield: 73.0%

(4-hydroxyphenyl)methanol (623-05-2) → 4-hydroxymethyl-2-nitrophenol (41833-13-0)

Guidance literature:

With aluminium trinitrate; In acetonitrile; at 0 - 23 ℃; regioselective reaction;

DOI:10.1021/acs.orglett.8b04141

upstream raw materials:

formaldehyd

2-hydroxynitrobenzene

4-hydroxy-3-nitro-benzyl chloride

(4-hydroxyphenyl)methanol

Downstream raw materials:

4-hydroxy-3-nitrobenzaldehyde

3-nitro-4-hydroxybenzoic acid

3-Amino-4-hydroxybenzyl alcohol

4-hydroxy-3-nitrobenzyl bromide

Refernces

• 1、 Wu, Xiaofeng,An, Jong Min,Shang, Jizhen,Huh, Eugene,Qi, Sujie,Lee, Eunhye,Li, Haidong,Kim, Gyoungmi,Ma, Huimin,Oh, Myung Sook,Kim, Dokyoung,Yoon, Juyoung. "A molecular approach to rationally constructing specific fluorogenic substrates for the detection of acetylcholinesterase activity in live cells, mice brains and tissues". . p. 11285 - 11292. Retrieved 2020/11/04.
• 2、 Selvam, Chelliah,Lemasson, Isabelle A.,Brabet, Isabelle,Oueslati, Nadia,Karaman, Berin,Cabaye, Alexandre,Tora, Amélie S.,Commare, Bruno,Courtiol, Tiphanie,Cesarini, Sara,McCort-Tranchepain, Isabelle,Rigault, Delphine,Mony, Laetitia,Bessiron, Thomas,McLean, Heather,Leroux, Frédéric R.,Colobert, Fran?oise,Daniel, Hervé,Goupil-Lamy, Anne,Bertrand, Hugues-Olivier,Goudet, Cyril,Pin, Jean-Philippe,Acher, Francine C.. "Increased Potency and Selectivity for Group III Metabotropic Glutamate Receptor Agonists Binding at Dual sites". supporting information. p. 1969 - 1989. Retrieved 2018/03/21.