4-(Benzyloxy)-2-nitrophenol

Base Information

• Chemical Name: 4-(Benzyloxy)-2-nitrophenol
• CAS No.: 96315-18-3
• Molecular Formula: C13H11NO4
• Molecular Weight: 245.235
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID40404806
• Nikkaji Number: J2.774.725F
• Mol file: 96315-18-3.mol

Synonyms:4-(Benzyloxy)-2-nitrophenol;96315-18-3;4-Benzyloxy-2-nitrophenol;2-nitro-4-phenylmethoxyphenol;Phenol, 2-nitro-4-(phenylmethoxy)-;2-nitro-4-phenylmethoxy-phenol;2-nitro-4-benzyloxyphenol;SCHEMBL1734030;DTXSID40404806;VRYYLYCOPKQGPS-UHFFFAOYSA-N;WDA31518;AKOS005154526;HY-W351340;BS-24873;CS-0462758;FT-0662973

Chemical Property of 4-(Benzyloxy)-2-nitrophenol

Chemical Property:

• PSA: 75.28000
• LogP: 3.40260
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 245.06880783
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

98%+ ^*data from raw suppliers

4-Benzyloxy-2-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC(=C(C=C2)O)[N+](=O)[O-]
• Uses: 4-Benzyloxy-2-nitrophenol is used for the preparation of novel anilide compounds as acyl CoA cholesterol acyltransferase inhibitors.

Technology Process of 4-(Benzyloxy)-2-nitrophenol

There total 6 articles about 4-(Benzyloxy)-2-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: 96.0%

(((2-nitro-1,4-phenylene)bis(oxy))bis(methylene))dibenzene (51792-85-9) → 2-nitro-4-phenylmethoxy-phenol (96315-18-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 60h;

DOI:10.1002/anie.201902272

Reference yield: 84.8%

4-Benzyloxyphenol (103-16-2) → 2-nitro-4-phenylmethoxy-phenol (96315-18-3)

Guidance literature:

With nitric acid; In water; ethyl acetate; at 5 ℃; for 2h;

Reference yield:

→ 2-nitro-4-phenylmethoxy-phenol (96315-18-3) + 2-hydroxynitrobenzene (88-75-5,78813-12-4)

Guidance literature:

upstream raw materials:

4-Benzyloxyphenol

(((2-nitro-1,4-phenylene)bis(oxy))bis(methylene))dibenzene

benzyl chloride

benzyl bromide

Downstream raw materials:

1,2-bis(4-benzyloxy-2-nitrophenoxy)ethane

2,2'-[1,2-ethanediylbis(oxy)]bis[5-(benzyloxy)aniline]

1⁴,6⁴-dibenzyloxy-2,5,10,13-tetraoxa-7,16-diaza-1(1,2),6(1,2)-dibenzenacyclohexadecaphane

1⁴,6⁴-dibenzyloxy-2,5,10,13-tetraoxa-7,16-diaza-1(1,2),6(1,2)-benzenacyclohexadecaphane-8,15-dione

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