1,3-Dioxane, 5,5-dimethyl-2-phenyl-

Base Information

• Chemical Name: 1,3-Dioxane, 5,5-dimethyl-2-phenyl-
• CAS No.: 776-88-5
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.258
• European Community (EC) Number: 212-284-5
• NSC Number: 46263
• DSSTox Substance ID: DTXSID4061129
• Nikkaji Number: J193.165B
• Wikidata: Q81989329
• Mol file: 776-88-5.mol

Synonyms:1,3-Dioxane, 5,5-dimethyl-2-phenyl-;5,5-Dimethyl-2-phenyl-1,3-dioxane;776-88-5;m-Dioxane, 5,5-dimethyl-2-phenyl-;EINECS 212-284-5;NSC 46263;AI3-05746;Benzaldehyde-, 2,2-dimethyl-1,3-propanediol acetal;NSC46263;1,3-Dioxane,5,5-dimethyl-2-phenyl-;SCHEMBL8608558;1, 5,5-dimethyl-2-phenyl-;DTXSID4061129;m-Dioxane,5-dimethyl-2-phenyl-;NSC-46263;2-Phenyl-5,5-dimethyl-1,3-dioxane;AKOS040749884;Benzaldehyde-,2-dimethyl-1,3-propanediol acetal

Chemical Property of 1,3-Dioxane, 5,5-dimethyl-2-phenyl-

Chemical Property:

• Vapor Pressure: 0.0119mmHg at 25°C
• Boiling Point: 269.7°C at 760 mmHg
• Flash Point: 121.7°C
• PSA: 18.46000
• Density: 1.005g/cm³
• LogP: 2.75820
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC(OC1)C2=CC=CC=C2)C

Technology Process of 1,3-Dioxane, 5,5-dimethyl-2-phenyl-

There total 17 articles about 1,3-Dioxane, 5,5-dimethyl-2-phenyl- 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: 100.0%

2-phenyl-1,3-dioxane (772-01-0) + 5,5-Dimethyl-5,6-dihydro-4H-1,3-dioxinium tetrafluoroborate → 5,5-dimethyl-2-phenyl-[1,3]dioxane (776-88-5) + 1,3-dioxanium tetrafluoroborate

Guidance literature:

In dichloromethane; at 20 ℃; for 3h;

Reference yield: 100.0%

benzaldehyde dimethyl acetal (1125-88-8) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 5,5-dimethyl-2-phenyl-[1,3]dioxane (776-88-5)

Guidance literature:

With camphor-10-sulfonic acid; In dichloromethane; Inert atmosphere;

DOI:10.1021/ol102982b

Reference yield: 99.49%

benzaldehyde (100-52-7) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 5,5-dimethyl-2-phenyl-[1,3]dioxane (776-88-5)

Guidance literature:

With polyacrylonitrile hybrid fiber mat supported solid acid catalyst; In cyclohexane; Reflux;

DOI:10.1007/s00706-011-0706-0

upstream raw materials:

benzaldehyde

2,2-Dimethyl-1,3-propanediol

2-phenyl-1,3-dioxane

benzaldehyde dimethyl acetal

Downstream raw materials:

exo-7-phenyl-norcarane

7-phenylbicyclo[4.1.0]heptane

benzaldehyde

2,2-dimethyl-1,3-propanediol 1-benzoate

Refernces

• 1、 Nongbe, Medy C.,Oger, Nicolas,Ekou, Tchirioua,Ekou, Lynda,Yao, Benjamin K.,Le Grognec, Erwan,Felpin, Fran?ois-Xavier. "Graphene-catalyzed transacetalization under acid-free conditions". . p. 4637 - 4639. Retrieved 2016/09/23.
• 2、 Collins, Karl D.,Ruehling, Andreas,Lied, Fabian,Glorius, Frank. "Rapid assessment of protecting-group stability by using a robustness screen". supporting information. p. 3800 - 3805. Retrieved 2014/04/03.