1-Nitroso-4-phenoxybenzene

Base Information

• Chemical Name: 1-Nitroso-4-phenoxybenzene
• CAS No.: 52671-42-8
• Molecular Formula: C12H9 N O2
• Molecular Weight: 199.209
• Hs Code.: 2909309090
• UNII: ZT3KNV9WFH
• DSSTox Substance ID: DTXSID70967111
• Nikkaji Number: J634.189F
• Wikidata: Q82949626
• Mol file: 52671-42-8.mol

Synonyms:4-nitrosobiphenyl ether;4-nitrosodiphenyl ether

Chemical Property of 1-Nitroso-4-phenoxybenzene

Chemical Property:

• Vapor Pressure: 0.000935mmHg at 25°C
• Boiling Point: 313.1°Cat760mmHg
• Flash Point: 146.1°C
• PSA: 38.66000
• Density: 1.12g/cm³
• LogP: 3.87680
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.063328530
• Heavy Atom Count: 15
• Complexity: 194

Purity/Quality:

4-NITROSODIPHENYL ETHER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)N=O

Technology Process of 1-Nitroso-4-phenoxybenzene

There total 4 articles about 1-Nitroso-4-phenoxybenzene 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: 64.0%

4-phenoxyanilin (139-59-3) → 4-nitrosophenyl phenyl ether (52671-42-8)

Guidance literature:

With oxoperoxo(Py-2,4-dicarboxylato)P(NMe₂)3*Mo(VI); dihydrogen peroxide; In diethyl ether; dichloromethane; at 45 ℃; for 3h;

DOI:10.1021/ja066037m

Reference yield: 52.0%

4-phenoxyphenylboronic acid (51067-38-0) → 4-nitrophenyl phenyl ether (620-88-2) + 4-nitrosophenyl phenyl ether (52671-42-8)

Guidance literature:

With chloro-trimethyl-silane; sodium nitrite; In dichloromethane; at 20 ℃; for 4h; chemoselective reaction;

DOI:10.1016/j.tetlet.2014.01.138

Reference yield:

3-phenoxyaniline (3586-12-7) → 4-nitrosophenyl phenyl ether (52671-42-8)

Guidance literature:

With potassium hydroxide; dihydrogen peroxide; molybdenum(VI) oxide; In methanol; water; at 0 ℃; pH=3 - 3.5;

DOI:10.1021/ol801864c

upstream raw materials:

4-nitrophenyl phenyl ether

4-phenoxyanilin

3-phenoxyaniline

4-phenoxyphenylboronic acid

Downstream raw materials:

C₂₂H₂₃NO₇

((1R,4S)-3-(4-phenoxyphenyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-en-1-yl)methanol

(1R,3R,4R)-3,4-dibenzoyloxy-6,6-dimethyl-1-(4-phenoxyphenylamino)-cyclohexane

C₂₈H₂₇NO₅

Refernces

• 1、 Zhu, Di,Lu, Min,Chua, Pei Juan,Tan, Bin,Wang, Fei,Yang, Xinhao,Zhong, Guofu. "A highly stereoselective organocatalytic tandem aminoxylation/aza-Michael reaction for the synthesis of tetrahydro-1,2-oxazines". supporting information; experimental part. p. 4585 - 4588. Retrieved 2009/05/13.