1,7-Dioxaspiro[5.5]undecane

Base Information

• Chemical Name: 1,7-Dioxaspiro[5.5]undecane
• CAS No.: 180-84-7
• Deprecated CAS: 95273-63-5
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.225
• Hs Code.: 29329900
• European Community (EC) Number: 205-870-7
• UNII: KHI3QEQ4ZJ
• DSSTox Substance ID: DTXSID2040735
• Nikkaji Number: J193.665D,J510.197B,J510.198K,J3.514.341F
• Wikidata: Q804105,Q55620521,Q55620476
• Metabolomics Workbench ID: 49774,49775
• ChEMBL ID: CHEMBL2135489
• Mol file: 180-84-7.mol

Synonyms:1,7-dioxaspiro(5,5)undecane;1,7-dioxaspiro(5.5)undecane

Chemical Property of 1,7-Dioxaspiro[5.5]undecane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.645mmHg at 25°C
• Refractive Index: n20/D 1.464(lit.)
• Boiling Point: 193.5°Cat760mmHg
• Flash Point: 63.9°C
• PSA: 18.46000
• Density: 1.02g/cm³
• LogP: 2.08370
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• Water Solubility.: Soluble in water 1.0g/L.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 118

Purity/Quality:

1,7-Dioxaspiro[5.5]undecane ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCOC2(C1)CCCCO2
• Uses: Suitable for use in organic farming.

Technology Process of 1,7-Dioxaspiro[5.5]undecane

There total 151 articles about 1,7-Dioxaspiro[5.5]undecane 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%

1,9-bis(trimethylsilyloxy)-nonanone-5-dimethylhydrazone (131226-32-9) → 1,7-dioxaspiro[5.5]undecane (180-84-7,90839-15-9,90839-16-0)

Guidance literature:

With amberlite IR 120 A; magnesium sulfate; In tetrahydrofuran; hexane; for 48h; Heating;

DOI:10.1016/S0040-4020(01)85594-0

Reference yield: 93.0%

1,7-dioxaspiro<5.5>undec-2-ene (78013-58-8) → 1,7-dioxaspiro[5.5]undecane (180-84-7,90839-15-9,90839-16-0)

Guidance literature:

With hydrogen; platinum(IV) oxide; In diethyl ether; for 7h; under 735.5 Torr; Ambient temperature;

DOI:10.1002/cber.19811140419

Reference yield: 93.0%

2-<4'-(tetrahydro-2H-pyran-2-yl)oxy butan>-5,6-dihydro-4H-pyran (89455-85-6) → 1,7-dioxaspiro[5.5]undecane (180-84-7,90839-15-9,90839-16-0)

Guidance literature:

With camphor-10-sulfonic acid; In methanol; for 5h; Ambient temperature;

DOI:10.1016/S0040-4020(01)91403-6

upstream raw materials:

4-[2-(4-hydroxybutyl)[1,3]dioxolan-2-yl]butan-1-ol

tetrahydrofuran

3,4,5,6-tetrahydro-2H-pyran-2-one

4-(phenylthio)butan-1-ol

Refernces

• 1、 Deshong,P.,Waltermire,R.E.,Ammon,H.L.. "-". . p. 1901. Retrieved 1988.
• 2、 -. "Compact chiral environment biphenanthrene skeleton chiral phosphoric acid and preparation method and application thereof". Paragraph 0063-0065. . Retrieved 2022/03/02.
• 3、 Farrell, Mark,Melillo, Bruno,Smith, Amos B.. "Type II Anion Relay Chemistry: Exploiting Bifunctional Weinreb Amide Linchpins for the One-Pot Synthesis of Differentiated 1,3-Diketones, Pyrans, and Spiroketals". supporting information. p. 232 - 235. Retrieved 2016/01/25.