2-Methyl-1,4-dioxaspiro[4.5]decane

Base Information

• Chemical Name: 2-Methyl-1,4-dioxaspiro[4.5]decane
• CAS No.: 4722-68-3
• Deprecated CAS: 82476-05-9
• Molecular Formula: C9H16 O2
• Molecular Weight: 156.225
• European Community (EC) Number: 225-213-8
• NSC Number: 8213
• DSSTox Substance ID: DTXSID60884106
• Nikkaji Number: J42.121I
• Mol file: 4722-68-3.mol

Synonyms:2-Methyl-1,4-dioxaspiro[4.5]decane;4722-68-3;Cyclohexanone, cyclic propylene acetal;NSC 8213;EINECS 225-213-8;2-Methyl-1,4-dioxaspiro(4.5)decane;BRN 0106031;1,4-Dioxaspiro[4.5]decane, 2-methyl-;AI3-16359;1,4-DIOXASPIRO(4.5)DECANE, 2-METHYL-;3-methyl-1,4-dioxaspiro[4.5]decane;NSC8213;4-Methyl-2,2-Pentamethylene-1,3-Dioxolane;SCHEMBL3305308;DTXSID60884106;Cyclohexanone-1,3-butanediol ketal;NSC-8213;AKOS006344257;WLN: T5OXOTJ D1 B-& AL6XTJ;LS-62406;4-Methyl-2,2-pentamethylenen-1,3-dioxolane

Chemical Property of 2-Methyl-1,4-dioxaspiro[4.5]decane

Chemical Property:

• Vapor Pressure: 0.847mmHg at 25°C
• Refractive Index: 1.473
• Boiling Point: 188°Cat760mmHg
• Flash Point: 64.6°C
• PSA: 18.46000
• Density: 1.01g/cm³
• LogP: 2.08210
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

4-METHYL-2,2-PENTAMETHYLENE-1,3-DIOXOLANE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1COC2(O1)CCCCC2

Technology Process of 2-Methyl-1,4-dioxaspiro[4.5]decane

There total 2 articles about 2-Methyl-1,4-dioxaspiro[4.5]decane 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: 99.0%

propylene glycol (57-55-6,63625-56-9) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-methyl-1,4-dioxa-spiro[4.5]decane (4722-68-3)

Guidance literature:

With phosphorus modified SO₄^(2-)/TiO₂; In cyclohexane; for 2h; Dean-Stark; Reflux;

DOI:10.4067/s0717-97072015000300006

Reference yield:

→ 2-methyl-1,4-dioxa-spiro[4.5]decane (4722-68-3)

Guidance literature:

Reference yield: 80.0%

2-methyl-1,4-dioxa-spiro[4.5]decane (4722-68-3) + acetophenone (98-86-2) → 2-[1-(2-hydroxy-1-methyl-ethoxy)-cyclohexyl]-1-phenyl-ethanone

Guidance literature:

acetophenone; With di-n-butylboryl trifluoromethanesulfonate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at -78 ℃; for 0.5h;

2-methyl-1,4-dioxa-spiro[4.5]decane; In dichloromethane; at -78 ℃; for 0.5h;

DOI:10.1021/ol030108u

upstream raw materials:

propylene glycol

cyclohexanone

Downstream raw materials:

2-Cyclohexyloxy-1-propanol

1-cyclohexyloxy-propan-2-ol

cyclohexanone

cyclohexyl-propyl ether

Refernces

• 1、 -. "Method for improving activity of propylene epoxide catalyst and co-producing ketal (acetal)". Paragraph 0019; 0020; 0033-0036; 0040-0042. . Retrieved 2019/01/17.
• 2、 Shi, Yingxia,Liang, Xuezheng. "Robust acidic pseudo-ionic liquid catalyst with self-separation ability for esterification and acetalization". . p. 1413 - 1421. Retrieved 2019/05/04.