(5-Methyl-2-nitrophenyl)methanol

Base Information

• Chemical Name: (5-Methyl-2-nitrophenyl)methanol
• CAS No.: 66424-92-8
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.164
• Hs Code.: 2906299090
• European Community (EC) Number: 266-360-8
• DSSTox Substance ID: DTXSID70985092
• Nikkaji Number: J149.930K
• Wikidata: Q72493527
• Mol file: 66424-92-8.mol

Synonyms:(5-Methyl-2-nitrophenyl)methanol;66424-92-8;5-Methyl-2-nitrobenzyl alcohol;Benzenemethanol, 5-methyl-2-nitro-;EINECS 266-360-8;(5-methyl-2-nitro-phenyl)methanol;SCHEMBL68019;3-methyl-6-nitrobenzylalcohol;5-Methyl-2-nitrobenzylalcohol;3-hydroxymethyl-p-nitrotoluene;2-Nitro-5-methylbenzyl alcohol;5-Methyl-2-nitrobenzenemethanol;5-methyl-2-nitro-benzyl alcohol;DTXSID70985092;(5-methyl-2-nitrophenyl) methanol;(5-Methyl-2-nitrophenyl)methanol #;MFCD00007370;AKOS005174438;5-Methyl-2-nitrobenzyl alcohol, 98%;AS-43504;CS-0098720;FT-0641068;EN300-205345;A835463;A835660;Z1255427186

Chemical Property of (5-Methyl-2-nitrophenyl)methanol

Chemical Property:

• Vapor Pressure: 0.000191mmHg at 25°C
• Melting Point: 66-67 °C(lit.)
• Refractive Index: 1.585
• Boiling Point: 314.9 °C at 760 mmHg
• PKA: 14.04±0.10(Predicted)
• Flash Point: 141.4 °C
• PSA: 66.05000
• Density: 1.272 g/cm³
• LogP: 1.91870
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

5-Methyl-2-nitrobenzyl alcohol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])CO

Technology Process of (5-Methyl-2-nitrophenyl)methanol

There total 2 articles about (5-Methyl-2-nitrophenyl)methanol 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-methyl-2-nitrobenzoic acid (3113-72-2) → 5-methyl-2-nitrobenzyl alcohol (66424-92-8)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 80 ℃; for 3h; Inert atmosphere;

DOI:10.1021/ol400137q

Reference yield: 85.0%

2-(5-methyl-2-nitro-benzyloxy)-tetrahydro-pyran (218623-11-1) → 5-methyl-2-nitrobenzyl alcohol (66424-92-8)

Guidance literature:

With sulfuric acid; silica gel; In methanol; for 0.166667h; Heating;

DOI:10.1080/00397919908086065

Reference yield: 100.0%

5-methyl-2-nitrobenzyl alcohol (66424-92-8) → 5-methyl-2-nitrobenzaldehyde (5858-28-6)

Guidance literature:

5-methyl-2-nitrobenzyl alcohol; With oxalyl dichloride; In dichloromethane; dimethyl sulfoxide; at -60 ℃; for 1.08333h;

With triethylamine; In dichloromethane; dimethyl sulfoxide; at -60 - 20 ℃;

upstream raw materials:

2-(5-methyl-2-nitro-benzyloxy)-tetrahydro-pyran

5-methyl-2-nitrobenzoic acid

Downstream raw materials:

5-methyl-2-nitrobenzaldehyde

2-(5-methyl-2-nitro-benzyloxy)-tetrahydro-pyran

2-(bromomethyl)-4-methyl-1-nitrobenzene

N-(5-methyl-2-nitrobenzylidene)aniline

Refernces

• 1、 Watts, Field M.,Bunce, Richard A.. "Synthesis of Aryl-Substituted 3,3a,4,5-Tetrahydropyrrolo[1,2- A [ quinolin-1(2 H)-ones and 2,3,4,4a,5,6-Hexahydro-1 H-pyrido[1,2- A [quinolin-1-ones". . p. 564 - 572. Retrieved 2019/01/10.
• 2、 Kong, Chen,Jana, Navendu,Driver, Tom G.. "Rh2(II)-catalyzed selective aminomethylene migration from styryl azides". supporting information. p. 824 - 827. Retrieved 2013/03/29.