3-[(Pentan-3-yl)oxy]pentane

Base Information

• Chemical Name: 3-[(Pentan-3-yl)oxy]pentane
• CAS No.: 56761-99-0
• Molecular Formula: C10H22O
• Molecular Weight: 158.284
• DSSTox Substance ID: DTXSID50600296
• Nikkaji Number: J116.169E
• Wikidata: Q82496304

Synonyms:56761-99-0;3-pentyl ether;Bis(1-ethylpropyl) ether;SCHEMBL246513;3-[(Pentan-3-yl)oxy]pentane;DTXSID50600296

Chemical Property of 3-[(Pentan-3-yl)oxy]pentane

Chemical Property:

• PSA: 9.23000
• LogP: 3.38020
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 62.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)OC(CC)CC

Technology Process of 3-[(Pentan-3-yl)oxy]pentane

There total 2 articles about 3-[(Pentan-3-yl)oxy]pentane 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: 93.2%

pentan-3-one (96-22-0) → ethyl-n-propyl ether (56761-99-0) + (E)-pent-2-ene (646-04-8) + triethyl(1-ethyl-n-propoxy)silane (13829-49-7)

Guidance literature:

With triethylsilane; [CpW(CO)2(1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)]B(C₆F₅)4; at 23 ℃; for 1h; Conversion of starting material;

Reference yield:

pentan-3-one (96-22-0) → ethyl-n-propyl ether (56761-99-0) + 2-pentanol (584-02-1)

Guidance literature:

With hydrogen; tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anion; HMo(CO)2[η⁵:η¹-C5H4(CH2)2PCy2]; at 23 ℃; for 240h; under 3040 Torr; Further Variations:; Catalysts; Reagents; Solvents; Temperatures; time reaction; Product distribution;

DOI:10.1039/b401760a

Reference yield: 67.0%

ethyl-n-propyl ether (56761-99-0) + 2-methyl-N-(2-(pyridin-2-yl)propan-2-yl)benzamide (1620193-47-6) → 2-methyl-6-(pentan-3-yl)-N-(2-(pyridin-2-yl)propan-2-yl)benzamide

Guidance literature:

With di-tert-butyl peroxide; cobalt acetylacetonate; In benzene; at 140 ℃; for 24h; Sealed tube; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.8b02197

upstream raw materials:

pentan-3-one

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