2-Ethyl-2-methyl-1,3-dioxolane

Base Information

• Chemical Name: 2-Ethyl-2-methyl-1,3-dioxolane
• CAS No.: 126-39-6
• Deprecated CAS: 90641-56-8,957464-74-3,957464-74-3
• Molecular Formula: C6H12 O2
• Molecular Weight: 116.16
• Hs Code.: 29329990
• European Community (EC) Number: 204-785-2
• NSC Number: 829
• UNII: Y488VJJ1FV
• DSSTox Substance ID: DTXSID7059565
• Nikkaji Number: J42.130H
• Wikidata: Q27294245
• Mol file: 126-39-6.mol

Synonyms:2-Ethyl-2-methyl-1,3-dioxolane;126-39-6;2-Methyl-2-ethyl-1,3-dioxolane;2-Ethyl-2-methyldioxolane;2-Methyl-2-ethyldioxolane;Ethyleneacetic acid;1,3-Dioxolane, ethylmethyl-;2-Butanone, cyclic ethylene acetal;1,3-DIOXOLANE, 2-ETHYL-2-METHYL-;2-Butanone, cyclic 1,2-ethanediyl acetal;NSC 829;EINECS 204-785-2;2-Butanone ethylene acetal;UNII-Y488VJJ1FV;BRN 0102815;Y488VJJ1FV;AI3-25310;NSC-829;SCHEMBL969840;NSC829;2-Butanone,2-ethanediyl acetal;DTXSID7059565;UPZFLZYXYGBAPL-UHFFFAOYSA-;WLN: T5O COTJ B2 B1;2-BUTANONE ETHYLENE KETAL;MFCD00014108;AKOS015838611;FS-4095;2-Ethyl-2-methyl-1,3-dioxolane, 99%;LS-62561;CS-0186631;E0515;FT-0612238;E77043;J-005376;Q27294245

Chemical Property of 2-Ethyl-2-methyl-1,3-dioxolane

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 21.9mmHg at 25°C
• Melting Point: -81.9°C
• Refractive Index: n20/D 1.409(lit.)
• Boiling Point: 116.2°Cat760mmHg
• Flash Point: 13 ºC
• PSA: 18.46000
• Density: 0.929
• LogP: 1.15940
• Storage Temp.: Refrigerator
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 74.6

Purity/Quality:

99.9% ^*data from raw suppliers

2-Ethyl-2-methyl-1,3-dioxolane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn,Xi
• Statements: 11-20/21/22-36/37/38-36
• Safety Statements: 16-26-36/37/39-38-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1(OCCO1)C
• Uses: Solvent. 2-Ethyl-2-methyl-1,3-dioxolane was employed as reagent in the selective ketalization of 1-oxo functions of 8a-methyl 1,6-dioxo 1,2,3,4,6,7,8,8a-octahydronaphthalene and 7a-methyl 1,5-dioxo 5,6,7,7a-tetrahydroindane. It was also employed in the enantioselective total synthesis of (-)-strychnine.

Technology Process of 2-Ethyl-2-methyl-1,3-dioxolane

There total 5 articles about 2-Ethyl-2-methyl-1,3-dioxolane 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%

ethylene glycol (107-21-1) + butanone (78-93-3) → 2-ethyl-2-methyl-1,3-dioxolane (126-39-6)

Guidance literature:

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

DOI:10.4067/s0717-97072015000300006

Reference yield:

2-methyl-1,3-dioxolane (497-26-7) + ethene (74-85-1) → 2-ethyl-2-methyl-1,3-dioxolane (126-39-6) + 2-n-butyl-2-methyl-1,3-dioxolane (14447-27-9) + 2-methyl-2-hexyl-1,3-dioxolane (937-94-0) + acetic acid butyl ester (123-86-4) + 1-hexyl acetate (142-92-7) + n-octyl acetate (112-14-1)

Guidance literature:

di-tert-butyl peroxide; at 140 - 150 ℃; Product distribution;

DOI:10.1007/BF01167778

Reference yield:

→ 1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + 2-ethyl-2-methyl-1,3-dioxolane (126-39-6)

Guidance literature:

upstream raw materials:

ethylene glycol

butanone

2-methyl-1,3-dioxolane

ethene

Downstream raw materials:

5-pregnene-3,20-dione-3,20-bisethyleneketal

17,17-ethanediyldioxy-androsta-1,4-dien-3-one

3,3-ethanediyldioxy-2α-bromo-5α-cholestane

(5α)-cholestan-3-one cyclic 1,2-ethanediyl acetal

Refernces

• 1、 Swanson, Claudia H.,Shaikh, Harris A.,Abdollahian, Yashar,Hauser, Jesse L.,Ikehata, Mariko,Oliver, Scott R.J.. "Control of morphology and catalytic activity of a cationic layered material". . p. 93 - 98. Retrieved 2012.
• 2、 Tan, Xin,Li, Lei,Zhang, Jianyong,Han, Xiaorui,Jiang, Long,Li, Fuwei,Su, Cheng-Yong. "Three-dimensional phosphine metal-organic frameworks assembled from Cu(I) and pyridyl diphosphine". . p. 480 - 485. Retrieved 2012.
• 3、 Yin, Jinlin,Fei, Honghan. "Cationic two-dimensional inorganic networks of antimony oxide hydroxide for Lewis acid catalysis". . p. 4054 - 4058. Retrieved 2018.
• 4、 Xing, Guiying. "Synthesis of a novel melamine-formaldehyde resin-supported ionic liquid with Bronsted acid sites and its catalytic activities". . p. 1369 - 1374. Retrieved 2013.
• 5、 Rogow, David L.,Fei, Honghan,Brennan, Daniel P.,Ikehata, Mariko,Zavalij, Peter Y.,Oliver, Allen G.,Oliver, Scott R. J.. "Hydrothermal synthesis of two cationic bismuthate clusters: An alkylenedisulfonate bridged hexamer, [Bi6O4(OH) 4(H2O)2][(CH2)2(SO 3)2]3 and a rare nonamer templated by triflate, [Bi9O8(OH)6][CF3SO 3]5". . p. 5619 - 5624. Retrieved 2010.
• 6、 Shao, Linjun,Du, Yijun,Xing, Guiying,Lv, Weixi,Liang, Xuezheng,Qi, Chenze. "Polyacrylonitrile fiber mat supported solid acid catalyst for acetalization". . p. 1199 - 1203. Retrieved 2012.
• 7、 Zhong, Shaofeng,Ou, Qiongrong,Shao, Linjun. "Phosphorus promoted SO42-/TiO2 solid acid catalyst for acetalization reaction". . p. 3005 - 3008. Retrieved 2015.
• 8、 Bauduin et al.. "-". . p. 3269,3274. Retrieved 1978.
• 9、 Fei, Honghan,Rogow, David L.,Oliver, Scott R. J.. "Reversible anion exchange and catalytic properties of two cationic metal-organic frameworks based on Cu(I) and Ag(I)". . p. 7202 - 7209. Retrieved 2010.
• 10、 Podolean, Iunia,Zhang, Jin,Shamzhy, Mariya,Parvulescu, Vasile I.,?ejka, Ji?í. "Solvent-free ketalization of polyols over germanosilicate zeolites: The role of the nature and strength of acid sites". . p. 8254 - 8264. Retrieved 2020/12/30.