(3-Ethoxypropyl)benzene

Base Information

• Chemical Name: (3-Ethoxypropyl)benzene
• CAS No.: 5848-56-6
• Molecular Formula: C11H16 O
• Molecular Weight: 164.247
• European Community (EC) Number: 227-441-3
• DSSTox Substance ID: DTXSID10974026
• Nikkaji Number: J218.098G
• Wikidata: Q82958155
• Mol file: 5848-56-6.mol

Synonyms:(3-Ethoxypropyl)benzene;5848-56-6;EINECS 227-441-3;Ethyl(3-phenylpropyl) ether;SCHEMBL90733;Benzene, (3-ethoxypropyl)-;DTXSID10974026

Chemical Property of (3-Ethoxypropyl)benzene

Chemical Property:

• Vapor Pressure: 0.000603mmHg at 25°C
• Boiling Point: 231.7°Cat760mmHg
• Flash Point: 94.8°C
• PSA: 9.23000
• Density: 0.922g/cm³
• LogP: 2.65570
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 95.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCCCC1=CC=CC=C1

Technology Process of (3-Ethoxypropyl)benzene

There total 32 articles about (3-Ethoxypropyl)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: 91.0%

ethyl 3-phenyl-2-propenoate (103-36-6) → hydrocinnamyl ethyl ether (5848-56-6)

Guidance literature:

With phenylsilane; potassium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; In 1,1,2,2-tetrachloroethane; at 100 ℃; for 15h;

DOI:10.1039/d0cy00775g

Reference yield: 89.0%

3-phenylpropyl acetate (122-72-5) → hydrocinnamyl ethyl ether (5848-56-6)

Guidance literature:

With triethylsilane; indium(III) bromide; In chloroform; at 60 ℃; for 4h;

DOI:10.1021/jo070814z

Reference yield: 87.0%

ethyl dihydrocinnamate (2021-28-5) → hydrocinnamyl ethyl ether (5848-56-6)

Guidance literature:

ethyl dihydrocinnamate; With diethylmethylsilane; (μ₃,η²:η³:η⁵-acenaphthalene)Ru3(CO)7; In 1,4-dioxane; at 20 ℃; for 1h;

With hydrogenchloride; In 1,4-dioxane; water; Further stages.;

DOI:10.1021/jo025726n

upstream raw materials:

bromobenzene

1-bromo-3-ethoxypropane

3,3-diethoxyl-1-phenylprop-1-ene

1-ethoxy-3-iodopropane

Downstream raw materials:

ethyl-(3-bromo-3-phenyl-propyl)-ether

1-ethoxy-3-(morpholin-4-yl)-3-phenylpropane

3-(4-fluorophenyl)propyl ethyl ether

Refernces

• 1、 Tahara, Atsushi,Sunada, Yusuke,Takeshita, Takashi,Inoue, Ryoko,Nagashima, Hideo. "Remarkably high catalyst efficiency of a disilaruthenacyclic complex for hydrosilane reduction of carbonyl compounds". supporting information. p. 11192 - 11195. Retrieved 2018/10/24.
• 2、 Maricich, Tom J.,Allan, Matthew J.,Kislin, Brett S.,Chen, Andrea I-T.,Meng, Fan-Chun,Bradford, Christine,Kuan, Nai-Chia,Wood, Jeremy,Aisagbonhi, Omonigho,Poste, Alethea,Wride, Dustin,Kim, Sylvia,Santos, Therese,Fimbres, Michael,Choi, Dianne,Elia, Haydi,Kaladjian, Joseph,Abou-Zahr, Ali,Mejia, Arturo. "SNAAP sulfonimidate alkylating agent for acids, alcohols, and phenols 1". . p. 3361 - 3368. Retrieved 2014/01/06.