2-Amino-6-nitrobenzyl alcohol

Base Information

• Chemical Name: 2-Amino-6-nitrobenzyl alcohol
• CAS No.: 98451-51-5
• Molecular Formula: C7H8 N2 O3
• Molecular Weight: 168.152
• Hs Code.: 2922199090
• European Community (EC) Number: 823-492-6
• DSSTox Substance ID: DTXSID80243579
• Nikkaji Number: J906.843K
• Wikidata: Q83127675
• Mol file: 98451-51-5.mol

Synonyms:2-amino-6-nitrobenzyl alcohol;2-ANBA

Chemical Property of 2-Amino-6-nitrobenzyl alcohol

Chemical Property:

• Vapor Pressure: 1.12E-06mmHg at 25°C
• Boiling Point: 386.8°Cat760mmHg
• PKA: 13.62±0.10(Predicted)
• Flash Point: 187.7°C
• PSA: 92.07000
• Density: 1.432g/cm³
• LogP: 1.77370
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

(2-Amino-6-nitrophenyl)methanol ^*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

Technology Process of 2-Amino-6-nitrobenzyl alcohol

There total 3 articles about 2-Amino-6-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: 85.0%

3-nitroanthranilic acid (606-18-8) → 2-amino-6-nitrobenzyl alcohol (98451-51-5)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 30 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.bmc.2012.08.004

Reference yield: 83.0%

6-nitroanthranilic acid (50573-74-5) → 2-amino-6-nitrobenzyl alcohol (98451-51-5)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 30 ℃; for 23h; Inert atmosphere;

DOI:10.1016/j.bmc.2012.08.004

Reference yield: 66.0%

2,6-dinitrobenzyl alcohol (96839-34-8) → 2-amino-6-nitrobenzyl alcohol (98451-51-5)

Guidance literature:

With cyclohexene; palladium on activated charcoal; In ethanol; for 3.5h; Heating;

upstream raw materials:

2,6-dinitrobenzyl alcohol

6-nitroanthranilic acid

3-nitroanthranilic acid

Downstream raw materials:

2-(tert-Butyl-dimethyl-silanyloxymethyl)-3-nitro-phenylamine2-(tert-butyl-dimethyl-silanyloxymethyl)-3-nitro-phenylamine

2-amino-6-nitrobenzaldehyde

N-{2,3-bis(2-methoxyethoxy)-8H-quinazolino[4,3-b]quinazoline}benzamide

C₂₁H₂₄N₄O₇