2-(Hydroxymethyl)-4-nitrophenol

Base Information

• Chemical Name: 2-(Hydroxymethyl)-4-nitrophenol
• CAS No.: 39224-61-8
• Molecular Formula: C7H7NO4
• Molecular Weight: 169.137
• Hs Code.: 2908990000
• DSSTox Substance ID: DTXSID50192484
• Wikidata: Q83065171
• Mol file: 39224-61-8.mol

Synonyms:2-hydroxy-5-nitrobenzyl alcohol;HNB alcohol

Chemical Property of 2-(Hydroxymethyl)-4-nitrophenol

Chemical Property:

• Vapor Pressure: 0.000145mmHg at 25°C
• Melting Point: 123-127 °C(lit.)
• Refractive Index: 1.644
• Boiling Point: 322.8 °C at 760 mmHg
• PKA: 7.01±0.22(Predicted)
• Flash Point: 147.5 °C
• Density: 1.489 g/cm³
• Solubility.: soluble in Methanol
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 169.03750770
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

2-(Hydroxymethyl)-4-nitrobenzenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Hydroxymethyl)-4-nitrophenol

There total 26 articles about 2-(Hydroxymethyl)-4-nitrophenol 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%

5-Nitrosalicylaldehyde (97-51-8) → 2-hydroxy-5-nitrobenzyl alcohol (39224-61-8)

Guidance literature:

With hydrogenchloride; sodium tetrahydroborate; In methanol; sodium hydroxide;

Reference yield: 100.0%

5-nitrosalicylic acid (96-97-9) → 2-hydroxy-5-nitrobenzyl alcohol (39224-61-8)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 20 ℃; for 18.0833h; Inert atmosphere;

Reference yield: 49.0%

2-(2-(bromomethyl)-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1030832-68-8) → 2-hydroxy-5-nitrobenzyl alcohol (39224-61-8) + 1,3-dihydro-5-nitro-1-hydroxy-2,1-benzoxaborole (875816-94-7) + 3-(bromomethyl)-5-nitrobenzene-1,2-diol (1447933-59-6)

Guidance literature:

With dihydrogen peroxide; In dimethyl sulfoxide; at 20 ℃; for 336h;

DOI:10.1002/chem.201300539

upstream raw materials:

2-hydroxy-5-nitrobenzyl chloride

2-aminomethyl-4-nitro-phenol

(2-amino-5-nitrophenyl)methanol

5-Nitrosalicylaldehyde

Downstream raw materials:

nitro-6 benzo (4H) dioxinne-1,3

2-hydroxy-5-nitrobenzyl chloride

4-amino-2-hydroxymethylphenol

2-methoxy-5-nitrophenylmethanol