2-Amino-5-nitrobenzyl alcohol

Base Information

• Chemical Name: 2-Amino-5-nitrobenzyl alcohol
• CAS No.: 77242-30-9
• Molecular Formula: C7H8 N2 O3
• Molecular Weight: 168.152
• Hs Code.: 2922199090
• European Community (EC) Number: 278-645-4
• DSSTox Substance ID: DTXSID50998483
• Nikkaji Number: J309.369G
• Wikidata: Q82991087
• Mol file: 77242-30-9.mol

Synonyms:(2-amino-5-nitrophenyl)methanol;77242-30-9;2-Amino-5-nitrobenzyl alcohol;Benzenemethanol,2-amino-5-nitro-;(2-amino-5-nitro-phenyl)-methanol;EINECS 278-645-4;MFCD09834918;2-Hydroxymethyl-4-Nitroaniline;SCHEMBL1922592;DTXSID50998483;XEALBFKUNCXFTO-UHFFFAOYSA-N;CDA24230;AKOS011475507;AB52850;NS-01357;SY096677;CS-0045318;EN300-3044823;A914435;Z960446264

Chemical Property of 2-Amino-5-nitrobenzyl alcohol

Chemical Property:

• Vapor Pressure: 4.61E-08mmHg at 25°C
• Boiling Point: 427.3°C at 760 mmHg
• PKA: 13.67±0.10(Predicted)
• Flash Point: 212.2°C
• PSA: 92.07000
• Density: 1.432g/cm³
• LogP: 1.77370
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• 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:

98%min ^*data from raw suppliers

(2-Amino-5-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-5-nitrobenzyl alcohol

There total 9 articles about 2-Amino-5-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: 98.0%

2-amino-5-nitro-benzoic acid (616-79-5) → (2-amino-5-nitrophenyl)methanol (77242-30-9)

Guidance literature:

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

DOI:10.1016/j.bmc.2012.08.004

Reference yield: 60.0%

5-nitroanthranilic acid methyl ester (3816-62-4) → (2-amino-5-nitrophenyl)methanol (77242-30-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 10 ℃;

DOI:10.1055/s-0030-1259921

Reference yield:

N-(2-formyl-4-nitrophenyl)acetamide (91538-60-2) → (2-amino-5-nitrophenyl)methanol (77242-30-9) + 2-amino-5-nitro-benzoic acid (616-79-5)

Guidance literature:

With potassium hydroxide; at 0 ℃;

upstream raw materials:

N-(2-formyl-4-nitrophenyl)acetamide

2-Aminobenzyl alcohol

N-acetyl-O-acetyl-2-aminobenzyl alcohol

2-amino-5-nitrobenzaldehyde

Downstream raw materials:

batracylin

2-(methoxymethyl)-p-phenylenediamine

2-(methoxymethyl)-4-nitroaniline

2-amino-5-nitrobenzaldehyde

Refernces

• 1、 -. "FACTOR XIa INHIBITORS". . . Retrieved 2015/12/09.
• 2、 -. "Process for Preparing Primary Intermediates for Dyeing Keratin Fibers". Paragraph 0045. . Retrieved 2014/05/08.