4-(Hydroxymethyl)-2-methoxy-6-nitrophenol

Base Information

• Chemical Name: 4-(Hydroxymethyl)-2-methoxy-6-nitrophenol
• CAS No.: 37987-22-7
• Molecular Formula: C8H9NO5
• Molecular Weight: 199.163
• DSSTox Substance ID: DTXSID40588135
• Nikkaji Number: J733.664K
• Wikidata: Q82480647
• Mol file: 37987-22-7.mol

Synonyms:4-(Hydroxymethyl)-2-methoxy-6-nitrophenol;37987-22-7;Benzenemethanol, 4-hydroxy-3-methoxy-5-nitro-;DTXSID40588135;AKOS000125852;CS-0353691;EN300-1841972

Chemical Property of 4-(Hydroxymethyl)-2-methoxy-6-nitrophenol

Chemical Property:

• PSA: 95.51000
• LogP: 1.32450
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 199.04807239
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

4-Hydroxymethyl-2-methoxy-6-nitro-phenol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)[N+](=O)[O-])CO

Technology Process of 4-(Hydroxymethyl)-2-methoxy-6-nitrophenol

There total 4 articles about 4-(Hydroxymethyl)-2-methoxy-6-nitrophenol 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%

isonitrovanillin (6635-20-7) → 4-hydroxy-5-methoxy-3-nitrobenzyl alcohol (37987-22-7)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 1h;

DOI:10.1021/acs.jmedchem.7b01438

Reference yield:

vanillin (121-33-5,8014-42-4) → 4-hydroxy-5-methoxy-3-nitrobenzyl alcohol (37987-22-7)

Guidance literature:

vanillin; With nitric acid; acetic acid;

With sodium tetrahydroborate; In methanol;

DOI:10.1021/acs.orglett.8b01755

Reference yield:

4-hydroxymethyl-2-methoxyphenol (498-00-0) → 4-hydroxy-5-methoxy-3-nitrobenzyl alcohol (37987-22-7)

Guidance literature:

With diethyl ether; cis-nitrous acid; acetone;

upstream raw materials:

formaldehyd

6-methoxy-2-nitrophenol

4-hydroxymethyl-2-methoxyphenol

isonitrovanillin

Downstream raw materials:

isonitrovanillin

[(3S)-3-amino-3-carboxypropyl][(4-hydroxy-5-methoxy-3-nitrophenyl)methyl]phosphinic acid

[(3S)-3-(N-benzyloxycarbonyl)amino-3-methoxycarbonylpropyl][(4-hydroxy-5-methoxy-3-nitrophenyl)methyl]phosphinic acid

2-methoxy-4,6-dinitrophenol

Refernces

• 1、 Kotovshchikov, Yury N.,Latyshev, Gennadij V.,Navasardyan, Mger A.,Erzunov, Dmitry A.,Beletskaya, Irina P.,Lukashev, Nikolay V.. "Annulation-Induced Cascade Transformation of 5-Iodo-1,2,3-triazoles to 2-(1-Aminoalkyl)benzoxazoles". supporting information. p. 4467 - 4470. Retrieved 2018/08/09.