(4-Methyl-2-nitrophenyl)methanol

Base Information

• Chemical Name: (4-Methyl-2-nitrophenyl)methanol
• CAS No.: 22996-24-3
• Molecular Formula: C₈H₉NO₃
• Molecular Weight: 167.164
• Hs Code.: 2906290090
• DSSTox Substance ID: DTXSID00695475
• Wikidata: Q82624670
• Mol file: 22996-24-3.mol

Synonyms:(4-methyl-2-nitrophenyl)methanol;22996-24-3;4-METHYL-2-NITROBENZYLALCOHOL;2-Nitro-4-methylbenzyl alcohol;4-Methyl-2-nitrobenzyl alcohol;SCHEMBL95377;4-methyl-2-nitro benzyl alcohol;DTXSID00695475;QNJCSIZDJFUHBA-UHFFFAOYSA-N;XAA99624;CL9275;MFCD08275452;AKOS006287441;DS-3927;CS-0077261;FT-0695634;EN300-244370;A840102;Z1198176995;(4-methyl-2-nitro-phenyl)methanol;(2-Amino-4-methylphenyl)methanol

Chemical Property of (4-Methyl-2-nitrophenyl)methanol

Chemical Property:

• Storage Temp.: 2-8°C
• XLogP3: 1.2
• 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% ^*data from raw suppliers

(4-Methyl-2-nitrophenyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (4-Methyl-2-nitrophenyl)methanol

There total 3 articles about (4-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: 99.0%

4-methyl-2-nitrobenzoic acid (27329-27-7) → (4-methyl 2-nitro-phenyl)-methanol (22996-24-3)

Guidance literature:

4-methyl-2-nitrobenzoic acid; In tetrahydrofuran; for 12h; Inert atmosphere; Reflux;

With hydrogenchloride;

DOI:10.1055/s-0036-1588470

Reference yield:

2-nitro-4-methylbenzaldehyde (20357-22-6) → (4-methyl 2-nitro-phenyl)-methanol (22996-24-3)

Guidance literature:

With sodium hydroxide;

Reference yield:

methyl 4-methyl-2-nitrobenzoate (20587-29-5) → (4-methyl 2-nitro-phenyl)-methanol (22996-24-3)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; at -78 ℃; for 2.5h; Inert atmosphere;

upstream raw materials:

2-nitro-4-methylbenzaldehyde

4-methyl-2-nitrobenzoic acid

methyl 4-methyl-2-nitrobenzoate

Downstream raw materials:

1-Boc-3-(5-chloro-2-nitrobenzylidene)piperidine

1-Boc-3-(5-chloro-2-nitrobenzylidene)piperidine

diethyl 4-methyl-2-nitrobenzylphosphonate

2-amino-4-methylbenzaldehyde

Refernces

• 1、 -. "Compound with dual inhibitory activity TDO, IDOO1 and application of compound for treating neurodegenerative disease (by machine translation)". . . Retrieved 2020/10/06.
• 2、 Jarrige, Lucie,Merad, Jeremy,Zaied, Siwar,Blanchard, Florent,Masson, Géraldine. "Easy Access to Quinolin-2(1 H)-ones via a One-Pot Tandem Oxa-Michael-Aldol Sequence". supporting information. p. 1724 - 1728. Retrieved 2017/10/06.