77350-57-3

Basic information

• Product Name: (4-[(4-NITROBENZYL)OXY]PHENYL)METHANOL
• Synonyms: (4-[(4-NITROBENZYL)OXY]PHENYL)METHANOL;RARECHEM AL BD 0235;4-(4-NITROBENZYLOXY)BENZYL ALCOHOL
• CAS NO: 77350-57-3
• Molecular Formula: C₁₄H₁₃NO₄
• Molecular Weight: 259.26
• Mol File: 77350-57-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 463.1°C at 760 mmHg
• Flash Point: 233.9°C
• Appearance: /
• Density: 1.297g/cm³
• Vapor Pressure: 2.25E-09mmHg at 25°C
• Refractive Index: 1.622
• CAS DataBase Reference: (4-[(4-NITROBENZYL)OXY]PHENYL)METHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: (4-[(4-NITROBENZYL)OXY]PHENYL)METHANOL(77350-57-3)
• EPA Substance Registry System: (4-[(4-NITROBENZYL)OXY]PHENYL)METHANOL(77350-57-3)

Safety Data

• Hazardous Substances Data: 77350-57-3(Hazardous Substances Data)

Usage

Description

(4-[(4-NITROBENZYL)OXY]PHENYL)METHANOL is an organic compound with the molecular formula C14H13NO4. It is a white crystalline solid that is commonly used as a reagent in organic synthesis and as a building block in the production of pharmaceuticals and other fine chemicals. (4-[(4-NITROBENZYL)OXY]PHENYL)METHANOL contains a nitrobenzyl group and a hydroxyl group attached to a phenyl ring, making it a versatile intermediate for the synthesis of various organic molecules.
Used in Pharmaceutical Industry:
(4-[(4-NITROBENZYL)OXY]PHENYL)METHANOL is used as a building block for the production of drugs and active pharmaceutical ingredients. Its versatile structure allows for the synthesis of various organic molecules, making it a valuable intermediate in the development of new pharmaceuticals.
Used in Organic Synthesis:
(4-[(4-NITROBENZYL)OXY]PHENYL)METHANOL is used as a reagent in organic synthesis. Its unique structure, featuring a nitrobenzyl group and a hydroxyl group attached to a phenyl ring, makes it a valuable component in the synthesis of a wide range of organic molecules.
It is important to handle (4-[(4-NITROBENZYL)OXY]PHENYL)METHANOL with care, as it may have toxic or harmful effects if not used properly.

InChI:InChI=1/C14H13NO4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-8,16H,9-10H2

Upstream product

• 123-08-0 4-hydroxy-benzaldehyde 
• 100-44-7 benzyl chloride 
• 623-05-2 (4-hydroxyphenyl)methanol 
• 100-14-1 4-nitrobenzyl chloride 

Downstream Products

• 77350-59-5 C₁₄H₁₂ClNO₃ 

Relevant articles and documents

Methanolysis (Solvolysis) and Synthesis of 4'-Substituted 4-Benzyloxybenzyl Chlorides and Some Related Compounds: Comparisons with the Corresponding Benzoyl Compounds

The kinetics of methanolysis (solvolysis) in 97.4percent MeOH-dioxan of a series of 4'-substituted 4-benzyloxybenzyl chlorides, and of 4-anisyl, 4-phenoxybenzyl, and benzyl chlorides have been studied and discussed, including comparisons with the data for the corresponding series of benzoyl chlorides, previously reported by us.The 4'-substituted precursor alcohols, chlorides, and product methyl ethers are all new compounds. 4-Anisyl chloride and the series of benzyloxybenzyl chlorides react by the SN1 mechanism, whereas benzyl chloride react by the SN2 mechanism. 4-Phenoxybenzyl chloride shows intermediate behaviour.A similar pattern was observed with the corresponding benzoyl compounds.In both series the reactivity order is CH3O > 4'-CH3C6H4CH2O (-0.76) >C6H5CH2O (-0.74) > 4'-ClC6H4CH2O (-0.69) > 4'-NO2C6H4CH2O (-0.60) > C6H5O > H (values in paranthesis are new ?+ values).At 25 deg C the overall range of rates is 4290 in the benzyl series, compared with only 2.42 in the benzyl series.The Arrhenius parameters in the two series demonstrate, however, an underlying similarity with obvious differences superimposed.In both series, the introduction of 4-OR groups leads to a ΔS increase of ca. 40 J mol-1 K-1.In the benzyl series this is accompanied by ΔE decreases of ca. 6-10 kJ mol-1 whereas in the benzoyl series ΔE values increase by ca. 10-15 kJ mol-1.The equation log k = log k0 + n in mixtures with increasing content of dioxan, was used to study the rate dependence on MeOH concentration.Values of n are ca. 5 between 97.4 and 8.3percent MeOH, and ca. 3 between 83.3 and 50.0percent MeOH.