4-Methyl-2-phenyl-1,3-dioxane

Base Information

• Chemical Name: 4-Methyl-2-phenyl-1,3-dioxane
• CAS No.: 774-44-7
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• European Community (EC) Number: 212-264-6
• NSC Number: 193338,46267,6578
• DSSTox Substance ID: DTXSID50883567
• Nikkaji Number: J193.159H
• Mol file: 774-44-7.mol

Synonyms:4-Methyl-2-phenyl-1,3-dioxane;2-Phenyl-4-methyl-1,3-dioxane;774-44-7;1,3-Dioxane, 4-methyl-2-phenyl-;4-Methyl-2-phenyl-m-dioxane;m-Dioxane, 4-methyl-2-phenyl-;1,3-Dioxane,4-methyl-2-phenyl-;NSC 6578;EINECS 212-264-6;NSC 46267;AI3-22426;1, 4-methyl-2-phenyl-;SCHEMBL751413;DTXSID50883567;NSC6578;NSC-6578;NSC46267;NSC-46267;NSC193338;AKOS006230054;NSC-193338;27098-20-0

Chemical Property of 4-Methyl-2-phenyl-1,3-dioxane

Chemical Property:

• Vapor Pressure: 0.0145mmHg at 25°C
• Boiling Point: 266.1°C at 760 mmHg
• Flash Point: 119°C
• PSA: 18.46000
• Density: 1.031g/cm³
• LogP: 2.51060
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

4-METHYL-2-PHENYL-1,3-DIOXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCOC(O1)C2=CC=CC=C2

Technology Process of 4-Methyl-2-phenyl-1,3-dioxane

There total 7 articles about 4-Methyl-2-phenyl-1,3-dioxane 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: 97.0%

1.3-butanediol (18826-95-4,107-88-0) + benzaldehyde (100-52-7) → 4-methyl-2-phenyl-[1,3]dioxane (774-44-7)

Guidance literature:

With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; orthoformic acid triethyl ester; In ethanol; at 50 ℃; for 2.5h;

DOI:10.1246/bcsj.75.2195

Reference yield: 96.0%

1.3-butanediol (18826-95-4,107-88-0) + (1S,2R)-1,2-diphenylethane-1,2-diol (579-43-1) → 4-methyl-2-phenyl-[1,3]dioxane (774-44-7)

Guidance literature:

With PTAB; N-benzyl-N,N,N-triethylammonium chloride; antimony(III) bromide; In dimethyl sulfoxide; at 20 ℃; for 19h;

DOI:10.1016/j.tetlet.2006.04.005

Reference yield: 91.0%

1.3-butanediol (18826-95-4,107-88-0) + benzaldehyde (100-52-7) → (±)-(2S,4R)-2,4-dimethyl-1,3-dioxane (774-44-7,27098-16-4,27098-20-0,72258-23-2,79464-76-9)

Guidance literature:

With magnesium sulfate; toluene-4-sulfonic acid; In dichloromethane; for 4.75h; Ambient temperature;

DOI:10.1021/jo00034a057

upstream raw materials:

1.3-butanediol

benzaldehyde

1,1,2-triphenyl-1,2-ethanediol

(1S,2R)-1,2-diphenylethane-1,2-diol

Downstream raw materials:

C₂₄H₃₀O₂

3-hydroxylbutyl benzoate

4-hydroxybut-2-yl benzoate

1-benzoyloxy-3-bromobutane

Refernces

• 1、 Linclau, Bruno,Peron, Florent,Bogdan, Elena,Wells, Neil,Wang, Zhong,Compain, Guillaume,Fontenelle, Clement Q.,Galland, Nicolas,Le Questel, Jean-Yves,Graton, Jér?me. "Intramolecular OH...Fluorine Hydrogen Bonding in Saturated, Acyclic Fluorohydrins: The γ-Fluoropropanol Motif". supporting information. p. 17808 - 17816. Retrieved 2015/12/08.
• 2、 Sayama, Shinsei. "Chemoselective conversion of aromatic epoxide and 1,2-diol to 1,3-dioxane derivatives with phenyltrimethylammonium tribromide in the presence of a catalytic amount of antimony(III) bromide". . p. 4001 - 4005. Retrieved 2007/10/03.