Tetradecahydro-1,4,7,10,13-benzopentaoxacyclopentadecin

Base Information

• Chemical Name: Tetradecahydro-1,4,7,10,13-benzopentaoxacyclopentadecin
• CAS No.: 17454-48-7
• Molecular Formula: C₁₄H₂₆O₅
• Molecular Weight: 274.357
• Hs Code.: 29329900
• European Community (EC) Number: 241-471-4
• NSC Number: 339324
• DSSTox Substance ID: DTXSID10938527
• Nikkaji Number: J151.274I
• ChEMBL ID: CHEMBL347646
• Mol file: 17454-48-7.mol

Synonyms:Cyclohexano-15-crown-5;17454-48-7;2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane;Tetradecahydro-1,4,7,10,13-benzopentaoxacyclopentadecin;EINECS 241-471-4;1,4,7,10,13-Benzopentaoxacyclopentadecin, tetradecahydro-;NSC339324;Tetradecahydro-1,4,7,10,13-benzopentaoxacyclopentadecine;Cyclohexyl-15-crown-5;Monocyclohexyl-15-crown-5;CHEMBL347646;SCHEMBL19766264;DTXSID10938527;AKOS024348890;Cyclohexano-15-crown-5, >=97.0%;NSC 339324;NSC-339324;FT-0624191;J-011004;Tetradecahydro-1,4,7,10,13-benzopentaoxacyclopentadecine #

Chemical Property of Tetradecahydro-1,4,7,10,13-benzopentaoxacyclopentadecin

Chemical Property:

• Vapor Pressure: 2.66E-06mmHg at 25°C
• Refractive Index: 1.4815-1.4835
• Boiling Point: 401.8°Cat760mmHg
• Flash Point: 164.9°C
• PSA: 46.15000
• Density: 1.003g/cm³
• LogP: 1.39420
• Sensitive.: Hygroscopic
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 274.17802393
• Heavy Atom Count: 19
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

CYCLOHEXANO-15-CROWN-5 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC2C(C1)OCCOCCOCCOCCO2

Technology Process of Tetradecahydro-1,4,7,10,13-benzopentaoxacyclopentadecin

There total 10 articles about Tetradecahydro-1,4,7,10,13-benzopentaoxacyclopentadecin 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%

2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin (14098-44-3) → cyclohexano-15-crown-5 ether (17454-48-7,62623-99-8)

Guidance literature:

With hydrogen; Rh/Al₂O₃; In ethanol; at 100 ℃; for 5h; under 76000 Torr;

DOI:10.1021/jo00123a036

Reference yield: 61.0%

2-(2-{2-[2-(2-Hydroxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-cyclohexanol (75507-14-1) → cyclohexano-15-crown-5 ether (17454-48-7,62623-99-8)

Guidance literature:

With sodium hydroxide; p-toluenesulfonyl chloride; In 1,4-dioxane; at 60 ℃; for 20h;

DOI:10.1021/jo01314a030

Reference yield: 55.0%

trans-2-hydroxy cyclohexyl ethylene glycol ether (77094-42-9,118787-20-5) + diethylene glycol ditosylate (7460-82-4) → cyclohexyl-15-crown-5 (17454-48-7,62623-99-8,107656-22-4,118867-06-4)

Guidance literature:

With sodium hydride; In 1,4-dioxane; at 55 - 60 ℃; for 24h;

upstream raw materials:

2-(2-{2-[2-(2-Hydroxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-cyclohexanol

2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin

Tetraethylene glycol

cyclohexane-1,2-epoxide

Downstream raw materials:

Tetraethylene glycol dimethyl ether

Refernces

• 1、 Costero, Ana M.,Rodriguez, Santiago. "Bis-Cyclohexyl-Crown-Ethers as Allosteric Carriers". . p. 6265 - 6272. Retrieved 2007/10/02.
• 2、 Ikeda, Isao,Yamamura, Shingo,Nakatsuji, Yohji,Okahara, Mitsuo. "Synthesis of Substituted Crown Ethers from Oligoethylene Glycols". . p. 5355 - 5358. Retrieved 2007/10/02.