1,3-Dioxolane-4-methanol, 2-ethyl-2-methyl-

Base Information

• Chemical Name: 1,3-Dioxolane-4-methanol, 2-ethyl-2-methyl-
• CAS No.: 3842-72-6
• Molecular Formula: C7H14O3
• Molecular Weight: 146.18400
• European Community (EC) Number: 609-552-2
• DSSTox Substance ID: DTXSID80473016
• Nikkaji Number: J25.474F
• Mol file: 3842-72-6.mol

Synonyms:3842-72-6;1,3-Dioxolane-4-methanol, 2-ethyl-2-methyl-;SCHEMBL2959769;DTXSID80473016;ROLDYPKMIPEYHX-UHFFFAOYSA-N;2-methyl-2-ethyl-4-hydroxymethyl-1,3-dioxolane;4-hydroxymethyl-2-methyl-2-ethyl-1,3-dioxolane

Chemical Property of 1,3-Dioxolane-4-methanol, 2-ethyl-2-methyl-

Chemical Property:

• Vapor Pressure: 0.076mmHg at 25°C
• Refractive Index: 1.426
• Boiling Point: 201.496oC at 760 mmHg
• Flash Point: 92.391oC
• Density: 1.006g/cm3
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(OCC(O1)CO)C

Technology Process of 1,3-Dioxolane-4-methanol, 2-ethyl-2-methyl-

There total 4 articles about 1,3-Dioxolane-4-methanol, 2-ethyl-2-methyl- 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: 94.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + butanone (78-93-3) → 2-Methyl-2-ethyl-4-hydroxymethyl-1,3-dioxolane (3842-72-6,75825-61-5,75825-77-3) + C7H14O3 (156895-62-4)

Guidance literature:

glycerol; With phosphomolybdic acid; In toluene; Reflux;

butanone; for 6h; regiospecific reaction; Molecular sieve; Reflux;

DOI:10.1055/s-0028-1083319

Reference yield: 89.4%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + butanone (78-93-3) → 2-Methyl-2-ethyl-4-hydroxymethyl-1,3-dioxolane (3842-72-6,75825-61-5,75825-77-3)

Guidance literature:

toluene-4-sulfonic acid; In hexane; at 67 - 74 ℃; for 30h;

Reference yield: 88.0%

butanone (78-93-3) + (R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol (100-79-8,36543-79-0) → 2-Methyl-2-ethyl-4-hydroxymethyl-1,3-dioxolane (3842-72-6,75825-61-5,75825-77-3)

Guidance literature:

With amberlyst 15; at 56 ℃; for 0.333333h;

DOI:10.1134/S1070428012050028

upstream raw materials:

glycerol

butanone

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

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