Butyl phenyl ether

Base Information

• Chemical Name: Butyl phenyl ether
• CAS No.: 1126-79-0
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 29093090
• European Community (EC) Number: 214-426-1
• NSC Number: 8467
• UNII: H804A5426K
• DSSTox Substance ID: DTXSID0022149
• Nikkaji Number: J43.445K
• Wikidata: Q27279741
• Mol file: 1126-79-0.mol

Synonyms:Butoxybenzene;BUTYL PHENYL ETHER;1126-79-0;n-Butyl phenyl ether;Benzene, butoxy-;Ether, butyl phenyl;n-Butylphenylether;Phenyl butyl ether;Butoxyphenyl;n-Butoxybenzene;1-Phenoxybutane;butoxy-benzene;(butyloxy)benzene;NSC 8467;EINECS 214-426-1;BRN 1635559;AI3-00446;UNII-H804A5426K;NSC-8467;H804A5426K;4-06-00-00558 (Beilstein Handbook Reference);n-butyloxybenzene;MFCD00009438;phenyl n-butyl ether;BUTYLOXYBENZENE;Butyl phenyl ether, 99%;WLN: 4OR;N-BUTYL-PHENYL-ETHER;SCHEMBL36192;DTXSID0022149;NSC8467;PHENYL ETHER N-BUTYL ETHER;BAA12679;BUTYL PHENYL ETHER, 99%,;AKOS002710507;AS-81526;LS-67784;B0927;CS-0204434;FT-0623298;F87431;A802631;J-002817;Q27279741;F0001-0276

Chemical Property of Butyl phenyl ether

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 0.334mmHg at 25°C
• Melting Point: -19 °C(lit.)
• Refractive Index: n20/D 1.497(lit.)
• Boiling Point: 206.826 °C at 760 mmHg
• Flash Point: 74.494 °C
• PSA: 9.23000
• Density: 0.922 g/cm³
• LogP: 2.86550
• Water Solubility.: 36.6mg/L at 20℃
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 84.9

Purity/Quality:

99% ^*data from raw suppliers

Butyl Phenyl Ether >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 24/25-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=CC=C1
• Uses: Butyl phenyl ether was used as model compound to study the transformation of human pharmaceuticals detected in water during chlorine disinfection. It was used in the synthesis of amino acids with aryl-keto function in their side-chains.

Technology Process of Butyl phenyl ether

There total 92 articles about Butyl phenyl ether 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%

butan-1-ol (71-36-3) + phenol (108-95-2,27073-41-2) → n-butyl phenyl ether (1126-79-0)

Guidance literature:

With di-isopropyl azodicarboxylate; dendric phosphine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2005.09.021

Reference yield: 99.0%

1-bromo-butane (109-65-9) + phenol (108-95-2,27073-41-2) → n-butyl phenyl ether (1126-79-0)

Guidance literature:

With potassium hydroxide; Aliquat 336; at 60 ℃; for 2h;

Reference yield: 95.2%

1-bromo-butane (109-65-9) + sodium phenoxide (139-02-6) → n-butyl phenyl ether (1126-79-0)

Guidance literature:

With N-(3,5-bis((2-methoxynaphthalen-1-yl)(phenyl)amino)phenyl)-N-butyl-(2-methoxynaphthalen-1-yl)phenylammonium bromide; In water; toluene; at 70 ℃; for 4h;

upstream raw materials:

1-bromo-butane

sodium phenoxide

1-iodo-butane

butyl para-toluenesulfonate

Downstream raw materials:

4-(4-butoxy-phenyl)-4-oxo-butyric acid

(4-butoxy-phenyl)-[2]furyl ketone

2-(4-butoxy-benzoyl)-benzoic acid

1,5-bis-(4-butoxy-phenyl)-pentane-1,5-dione

Refernces

• 1、 Heffernan, James G.,MacKenzie, William M.,Sherrington, David C.. "Non-supported and Resin-supported Oligo(oxyethylenes) as Solid-Liquid Phase-transfer Catalysts. Effect of Chain Length and Head-group". . p. 514 - 517. Retrieved 1981.
• 2、 Kawamura, Masato,Sato, Kazuhiko. "Magnetically separable phase-transfer catalysts". . p. 4718 - 4719. Retrieved 2006.
• 3、 Mc Kenzie,Sherrington. "". . p. 541. Retrieved 1978.
• 4、 Chan, Bun,Lui, Matthew Y.,Lui, Yuen Wai. "Methylation with Dimethyl Carbonate/Dimethyl Sulfide Mixtures: An Integrated Process without Addition of Acid/Base and Formation of Residual Salts". . . Retrieved 2022/01/08.
• 5、 Bai, Jixiang,Wang, Tianxin,Dai, Botao,Liu, Qingchao,Yu, Peiyuan,Jia, Tiezheng. "Radical Anion Promoted Chemoselective Cleavage of Csp2-S Bond Enables Formal Cross-Coupling of Aryl Methyl Sulfones with Alcohols". supporting information. p. 5761 - 5765. Retrieved 2021/08/16.