1,3-Dioxane, 4-methyl-2-(2-methyl-1-propenyl)-

Base Information

• Chemical Name: 1,3-Dioxane, 4-methyl-2-(2-methyl-1-propenyl)-
• CAS No.: 55546-11-7
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.225
• European Community (EC) Number: 259-702-2
• DSSTox Substance ID: DTXSID00885753
• Nikkaji Number: J267.025I
• Mol file: 55546-11-7.mol

Synonyms:1,3-Dioxane, 4-methyl-2-(2-methyl-1-propenyl)-;55546-11-7;EINECS 259-702-2;4-Methyl-2-(2-methyl-1-propenyl)-1,3-dioxane;1,3-Dioxane, 4-methyl-2-(2-methyl-1-propen-1-yl)-;SCHEMBL20782920;DTXSID00885753

Chemical Property of 1,3-Dioxane, 4-methyl-2-(2-methyl-1-propenyl)-

Chemical Property:

• Vapor Pressure: 0.734mmHg at 25°C
• Boiling Point: 190.9°C at 760 mmHg
• Flash Point: 64°C
• PSA: 0.00000
• Density: 0.971g/cm³
• LogP: 0.00000
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCOC(O1)C=C(C)C

Technology Process of 1,3-Dioxane, 4-methyl-2-(2-methyl-1-propenyl)-

There total 4 articles about 1,3-Dioxane, 4-methyl-2-(2-methyl-1-propenyl)- 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:

1,3-butanediol (24621-61-2) + 3,3-dimethyl acrylaldehyde (107-86-8) → (+)-(2R,4S)-4-Methyl-2-2'-methylprop-1'-enyl-1,3-dioxane (55546-11-7)

Guidance literature:

With boron trifluoride diethyl etherate; calcium carbonate; In tetrahydrofuran; 1.) 30 min, -60 deg C, 2.) 14.5 h, 0 deg C;

DOI:10.1002/hlca.19800630628

Reference yield:

(R)-butane-1,3-diol (6290-03-5) + 3,3-dimethyl acrylaldehyde (107-86-8) → (-)-(2S,4R)-4-methyl-2-2'-methylprop-1'-enyl-1,3-dioxane (55546-11-7)

Guidance literature:

With boron trifluoride diethyl etherate; calcium carbonate; In tetrahydrofuran; 1.) 30 min, -60 deg C, 2.) 14.5 h, 0 deg C;

DOI:10.1002/hlca.19800630628

Reference yield:

1.3-butanediol (18826-95-4,107-88-0) + 3,3-dimethyl acrylaldehyde (107-86-8) → (+/-)-(2RS,4SR)-4-Methyl-2-2'-methylprop-1'-enyl-1,3-dioxane (55546-11-7) + (+/-)-(2RS,4RS)-4-Methyl-2-2'-methylprop-1'-enyl-1,3-dioxane (55546-11-7)

Guidance literature:

With boron trifluoride diethyl etherate; calcium carbonate; In tetrahydrofuran; Yield given. Yields of byproduct given; 1.) 30 min, -60 deg C, 2.) 14.5 h, 0 deg C;

DOI:10.1002/hlca.19800630628

upstream raw materials:

1,3-butanediol

3,3-dimethyl acrylaldehyde

(R)-butane-1,3-diol

1.3-butanediol