(4-Methoxy-2-nitrophenyl)methanol

Base Information

• Chemical Name: (4-Methoxy-2-nitrophenyl)methanol
• CAS No.: 22996-23-2
• Molecular Formula: C8H9 N O4
• Molecular Weight: 183.164
• Hs Code.: 2909499000
• European Community (EC) Number: 816-207-1
• DSSTox Substance ID: DTXSID60404580
• Wikidata: Q82208853
• Mol file: 22996-23-2.mol

Synonyms:(4-methoxy-2-nitrophenyl)methanol;22996-23-2;4-METHOXY-2-NITROBENZYL ALCOHOL;Benzenemethanol, 4-methoxy-2-nitro-;(4-methoxy-2-nitro-phenyl)methanol;SCHEMBL5219494;DTXSID60404580;DDVFIARESYCFKS-UHFFFAOYSA-N;XAA99623;MFCD05148477;(4-Methoxy-2-nitro-phenyl)-methanol;AKOS006293452;AS-47727;CS-0133798;FT-0638280;F15886;EN300-1856047;A816472

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

Chemical Property:

• Vapor Pressure: 2.78E-05mmHg at 25°C
• Melting Point: 79-81 °C(Solv: benzene (71-43-2); hexane (110-54-3))
• Refractive Index: 1.574
• Boiling Point: 343°C at 760 mmHg
• PKA: 13.84±0.10(Predicted)
• Flash Point: 161.2°C
• PSA: 75.28000
• Density: 1.316g/cm³
• LogP: 1.61890
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 183.05315777
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

97% ^*data from raw suppliers

4-Methoxy-2-nitrobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)CO)[N+](=O)[O-]

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

There total 6 articles about (4-Methoxy-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%

2-nitro-4-methoxybenzoic acid (33844-21-2) → (4-methoxy-2-nitro-phenyl)-methanol (22996-23-2)

Guidance literature:

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

DOI:10.1021/ol400137q

Reference yield: 97.0%

→ (4-methoxy-2-nitro-phenyl)-methanol (22996-23-2)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 70 ℃; for 4h;

Reference yield: 91.0%

4-methoxy-2-nitrobenzyl bromide (57559-52-1) → (4-methoxy-2-nitro-phenyl)-methanol (22996-23-2)

Guidance literature:

With water; In acetone; for 26h; Reflux;

DOI:10.1021/np070377j

upstream raw materials:

4-methoxy-2-nitro-benzaldehyde

2-nitro-4-methoxybenzoic acid

4-methoxy-2-nitrobenzyl bromide

4-Methyl-3-nitroanisole

Downstream raw materials:

1-[[(chlorocarbonyl)oxy]methyl]-4-methoxy-2-nitrobenzene

4-methoxy-2-nitro-benzaldehyde

(Z)-2-(2'-amino-4'-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)ethene

1-(chloromethyl)-4-methoxy-2-nitrobenzene