2,6-Dinitrobenzyl alcohol

Base Information

• Chemical Name: 2,6-Dinitrobenzyl alcohol
• CAS No.: 96839-34-8
• Molecular Formula: C7H6N2O5
• Molecular Weight: 198.135
• Hs Code.: 2906299090
• UNII: 9UMY598ETG
• DSSTox Substance ID: DTXSID10914285
• Nikkaji Number: J510.516A
• Wikidata: Q82885060
• Mol file: 96839-34-8.mol

Synonyms:2,6-dinitrobenzyl alcohol

Chemical Property of 2,6-Dinitrobenzyl alcohol

Chemical Property:

• Vapor Pressure: 2.28E-05mmHg at 25°C
• Boiling Point: 345.8°C at 760 mmHg
• Flash Point: 155.8°C
• PSA: 111.87000
• Density: 1.56g/cm³
• LogP: 2.04170
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 198.02767130
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

2,6-DINITROBENZYL ALCOHOL 95.00% ^*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)[N+](=O)[O-]

Technology Process of 2,6-Dinitrobenzyl alcohol

There total 9 articles about 2,6-Dinitrobenzyl 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: 30.0%

2,6-dinitrobenzaldehyde (606-31-5) → 2,6-dinitrobenzyl alcohol (96839-34-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 1h; Ambient temperature;

Reference yield:

2,6-dinitrobenzaldehyde (606-31-5) → 2,6-dinitrobenzoic acid (603-12-3) + 2,6-dinitrobenzyl alcohol (96839-34-8)

Guidance literature:

With sodium chlorite; 2-methyl-but-2-ene; acetic acid; In 1,2-dimethoxyethane; water; at 20 ℃; for 16h;

DOI:10.1080/00304940309355366

Reference yield:

2,6-dinitrotoluene (606-20-2) → 2,6-dinitrobenzaldehyde (606-31-5) + 2,6-dinitrobenzoic acid (603-12-3) + 2,6-dinitrobenzyl alcohol (96839-34-8)

Guidance literature:

With 1,4-dihydronicotinamide adenine dinucleotide; rat liver microsomal and cytosol proteins; NAD; In water; acetone; at 37 ℃; Product distribution; phosphate buffer, pH = 7.4; besides of NAD, NADH add of NADP, NADH; add of inhibitor: hydralazine;

DOI:10.1248/cpb.37.1904

upstream raw materials:

2-(bromomethyl)-1,3-dinitrobenzene

2,6-dinitro-benzylamine

2,6-dinitrotoluene

2,6-dinitrobenzaldehyde

Downstream raw materials:

Phosphoric acid 2-chloro-phenyl ester 2,6-dinitro-benzyl ester (2R,3S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-(9-phenyl-9H-xanthen-9-yloxymethyl)-tetrahydro-furan-3-yl ester

2-Nitro-6-nitroso-benzaldehyde

2-amino-6-nitrobenzyl alcohol

Methyl 2,3,4-tri-O-acetyl-1-O-2,6-dinitrobenzyl-β-D-glucopyranuronate