Propoxybenzene

Base Information

• Chemical Name: Propoxybenzene
• CAS No.: 622-85-5
• Molecular Formula: C9H12 O
• Molecular Weight: 136.194
• Hs Code.: 2909309090
• European Community (EC) Number: 210-756-5
• UNII: XBA82A8RYZ
• DSSTox Substance ID: DTXSID1060760
• Nikkaji Number: J43.437J
• Wikidata: Q29512077
• Mol file: 622-85-5.mol

Synonyms:Propoxybenzene;PHENYL PROPYL ETHER;622-85-5;Benzene, propoxy-;Propoxyphenyl;Propyl phenyl ether;Ether, propyl phenyl;Ether, phenyl propyl;EINECS 210-756-5;XBA82A8RYZ;BRN 1634987;AI3-24227;4-06-00-00556 (Beilstein Handbook Reference);phenoxy propane;propoxy-benzene;phenylpropyl ether;UNII-XBA82A8RYZ;SCHEMBL144684;DTXSID1060760;MFCD00039935;AKOS002710506;DS-3306;SB67034;LS-67887;2-HYDROXY-5-NONYL-BENZALDEHYDEOXIME;CS-0160341;FT-0725964;P2607;C75927;A917523;Q29512077

Chemical Property of Propoxybenzene

Chemical Property:

• Vapor Pressure: 0.77mmHg at 25°C
• Melting Point: -28°C(lit.)
• Refractive Index: 1.4990 to 1.5030
• Boiling Point: 189.9°C at 760 mmHg
• Flash Point: 65°C
• PSA: 9.23000
• Density: 0.929g/cm³
• LogP: 2.47540
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

Propoxybenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=CC=C1

Technology Process of Propoxybenzene

There total 57 articles about Propoxybenzene 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: 95.0%

allyl phenyl ether (1746-13-0) → propoxybenzene (622-85-5)

Guidance literature:

With C₇H₁₄N₃⁽¹⁺⁾*Cl^(1-); sodium triethylborohydride; cobalt(II) chloride; In tetrahydrofuran; at 25 ℃; for 16h; under 7500.75 Torr;

DOI:10.1021/acs.organomet.0c00498

Reference yield: 90.0%

propan-1-ol (71-23-8) + iodobenzene (591-50-4) → propoxybenzene (622-85-5)

Guidance literature:

With caesium carbonate; [Cu8(S2P(OiPr)2)6(μ₈-Cl)][PF6]; at 110 ℃; for 11h;

DOI:10.1021/jo048761y

Reference yield: 90.0%

1-iodo-propane (107-08-4) + phenol (108-95-2,27073-41-2) → propoxybenzene (622-85-5)

Guidance literature:

With potassium hydroxide; DCH-18-crown-6 immobilized on 2-vinylpyridine-styrene copolymer; In chloroform; for 6h; Heating;

upstream raw materials:

propan-1-ol

bromobenzene

sodium n-propoxide

copper diacetate

Downstream raw materials:

5-propylphenol

2,6-di-n-propylphenol

2,4-di-propylphenol

2-(1-methylethyl)-6-propylphenol

Refernces

• 1、 Beller, Matthias,Feng, Lu,Gao, Jie,Jackstell, Ralf,Jagadeesh, Rajenahally V.,Liu, Yuefeng,Ma, Rui. "Ambient Hydrogenation and Deuteration of Alkenes Using a Nanostructured Ni-Core–Shell Catalyst". supporting information. p. 18591 - 18598. Retrieved 2021/06/28.
• 2、 Corazzata, Kaitlyn,Langston, Alexander,Lee, Elaine C.,Mo, Shunyan,Rose, Peter J.,Snodgrass, Joseph. "Removal of Alkyl Sulfonates Using DABCO". supporting information. . Retrieved 2021/11/30.