1-Nitro-4-(phenoxymethyl)benzene

Base Information

• Chemical Name: 1-Nitro-4-(phenoxymethyl)benzene
• CAS No.: 3048-12-2
• Molecular Formula: C13H11NO3
• Molecular Weight: 229.235
• European Community (EC) Number: 667-469-7
• NSC Number: 263498
• UNII: 9Z9ZS24JA7
• DSSTox Substance ID: DTXSID40184550
• Nikkaji Number: J691.353I
• Wikidata: Q83055459
• ChEMBL ID: CHEMBL4467933
• Mol file: 3048-12-2.mol

Synonyms:1-Nitro-4-(phenoxymethyl)benzene;3048-12-2;Benzene, 1-nitro-4-(phenoxymethyl)-;p-Nitrobenzyl phenyl ether;4-Nitrobenzyl phenyl ether;NSC-263498;CCRIS 7965;NSC263498;Ether, p-nitrobenzyl phenyl;(4-Nitrobenzyl)phenyl ether;4-(Phenoxymethyl)nitrobenzene;(4-Nitrobenzyl) phenyl ether;SCHEMBL227098;9Z9ZS24JA7;CHEMBL4467933;DTXSID40184550;BKSDFYLOSRTHTL-UHFFFAOYSA-N;MFCD00024778;AKOS008913282;NSC 263498;AS-55095;CS-0309066;EN300-15518;W16346;Z26347915

Chemical Property of 1-Nitro-4-(phenoxymethyl)benzene

Chemical Property:

• Vapor Pressure: 1.11E-05mmHg at 25°C
• Boiling Point: 381.5°C at 760 mmHg
• Flash Point: 172.9°C
• Density: 1.232g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 229.07389321
• Heavy Atom Count: 17
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-Nitro-4-(phenoxymethyl)benzene

There total 16 articles about 1-Nitro-4-(phenoxymethyl)benzene 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: 97.0%

1-bromomethyl-4-nitro-benzene (100-11-8) + phenol (108-95-2,27073-41-2) → 4-nitrobenzyl phenyl ether (3048-12-2)

Guidance literature:

With sodium hydroxide; In water; for 0.00416667h; microwave irradiation;

DOI:10.1080/00397919608003618

Reference yield: 95.0%

4-nitrobenzyl chloride (619-73-8) + benzyl bromide (100-39-0) → 4-nitrobenzyl phenyl ether (3048-12-2)

Guidance literature:

4-nitrobenzyl chloride; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

benzyl bromide; In N,N-dimethyl-formamide; at 0 ℃; Inert atmosphere;

DOI:10.1039/d0nj04321d

Reference yield: 90.0%

4-nitrobenzyl chloride (100-14-1) + phenol (108-95-2,27073-41-2) → 4-nitrobenzyl phenyl ether (3048-12-2)

Guidance literature:

With potassium carbonate; In toluene; at 95 ℃; for 9h;

DOI:10.1139/V10-170

upstream raw materials:

4-nitrobenzyl fluoride

sodium phenoxide

4-nitrobenzyl chloride

phenol

Downstream raw materials:

1,2-bis(4-nitrophenyl)ethane

1-methyl-4-nitrobenzene

4,4'-dinitro stilbene

4-nitrobenzaldehyde radical anion

Refernces

• 1、 Zhao, Qianqiang,Zhao, Xiao,Peng, Hui,Liu, Yang,Yang, Lihui,Sun, Jie,Yang, Lei,Shen, Yifeng. "Static phase transfer catalysis for Williamson reactions: Pickering interfacial catalysis". . p. 3445 - 3453. Retrieved 2019/07/10.
• 2、 -. "N-(4-substituted phenyl)-2-substituted acetamide compound and is use as SIRT2 protein inhibitor". Paragraph 0160; 0161. . Retrieved 2017/08/02.