Allyl phenethyl ether

Base Information

• Chemical Name: Allyl phenethyl ether
• CAS No.: 14289-65-7
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• Hs Code.: 2909309090
• European Community (EC) Number: 238-212-2
• NSC Number: 70009
• UNII: C6MM76LNV6
• DSSTox Substance ID: DTXSID8065745
• Nikkaji Number: J216.942H
• Wikidata: Q63399005
• Mol file: 14289-65-7.mol

Synonyms:Allyl phenethyl ether;14289-65-7;Ether, allyl phenethyl;2-prop-2-enoxyethylbenzene;MYCOLIDE;Allyl phenylethyl ether;(2-Allyloxyethyl)benzene;Allyl-1-phenylethyl(2)ether;Allyl 2-phenylethyl ether;Benzene, (2-(2-propenyloxy)ethyl)-;C6MM76LNV6;Benzene, (2-(2-propen-1-yloxy)ethyl)-;EINECS 238-212-2;NSC 70009;NSC-70009;Benzene, [2-(2-propenyloxy)ethyl]-;2-allyloxyethylbenzene;(2-(allyloxy)ethyl)benzene;UNII-C6MM76LNV6;(2-allyloxy-ethyl)-benzene;(s)-benzylallyl methyl ether;SCHEMBL144596;DTXSID8065745;2-PHENYLETHYL ALLYL ETHER;NSC70009;AKOS006275271;[2-(prop-2-en-1-yloxy)ethyl]benzene;(2-(2-PROPENYLOXY)ETHYL)BENZENE;FT-0693284;(2-(2-PROPEN-1-YLOXY)ETHYL)BENZENE;Q63399005

Chemical Property of Allyl phenethyl ether

Chemical Property:

• Vapor Pressure: 0.174mmHg at 25°C
• Boiling Point: 219.6°Cat760mmHg
• Flash Point: 86.2°C
• PSA: 9.23000
• Density: 0.936g/cm³
• LogP: 2.43170
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

MYCOLIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOCCC1=CC=CC=C1

Technology Process of Allyl phenethyl ether

There total 6 articles about Allyl phenethyl 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: 97.0%

2-phenylethanol (60-12-8) + allyl bromide (106-95-6) → 2-(2-propenyloxy)ethylbenzene (14289-65-7)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide; In toluene; at 65 - 75 ℃; Large scale;

DOI:10.1021/op049953y

Reference yield: 93.0%

2-phenylethanol (60-12-8) + allyl alcohol (107-18-6) → 2-(2-propenyloxy)ethylbenzene (14289-65-7)

Guidance literature:

[RuCp(η³-C₃H₅)(QA)]PF_6, QA=quinaldic acid; In dichloromethane; for 3h; Heating;

DOI:10.1002/adsc.200505401

Reference yield: 85.0%

allyl bromide (106-95-6) + acetic acid phenethyl ester (103-45-7) → 2-(2-propenyloxy)ethylbenzene (14289-65-7)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; ethyl acetate; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.10.077

upstream raw materials:

sodium phenethylate

allyl bromide

2-phenylethanol

allyl alcohol

Downstream raw materials:

2-Phenylethyl benzoate

2-[3-[2-Phenylethoxy]propylthio]acetic acid

Refernces

• 1、 Duke, Brett J.,Akeroyd, Evan N.,Bhatt, Shreeja V.,Onyeagusi, Chibueze I.,Bhatt, Shreya V.,Adolph, Brandy R.,Fotie, Jean. "Nano-dispersed platinum(0) in organically modified silicate matrices as sustainable catalysts for a regioselective hydrosilylation of alkenes and alkynes". . p. 11782 - 11795. Retrieved 2018/07/25.
• 2、 Xu, Hua-Dong,Xu, Ke,Zheng, Qing,He, Wei-Jie,Shen, Mei-Hua,Hu, Wen-Hao. "Step-economy etherification of acylated alcohols". supporting information. p. 6836 - 6838. Retrieved 2015/01/09.