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

Base Information

• Chemical Name: 4-Methyl-2-phenyl-1,3-dioxolane
• CAS No.: 2568-25-4
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 29329990
• European Community (EC) Number: 219-906-4
• UNII: ELQ3FTL5B1
• DSSTox Substance ID: DTXSID60862989
• Nikkaji Number: J111.034I
• Wikidata: Q27277235
• Metabolomics Workbench ID: 47649
• Mol file: 2568-25-4.mol

Synonyms:4-Methyl-2-phenyl-1,3-dioxolane;2568-25-4;Benzaldehyde propylene glycol acetal;1,3-Dioxolane, 4-methyl-2-phenyl-;FEMA No. 2130;4-Methyl-2-phenyl-m-dioxolane;UNII-ELQ3FTL5B1;ELQ3FTL5B1;EINECS 219-906-4;MFCD00059732;Benzaldehyde propylene glycolacetal;Benzaldehyde propylene acetal;benzaldehyde 1,2-propanediol;SCHEMBL531471;FEMA 2130;DTXSID60862989;CHEBI:180409;2-phenyl-4-methyl-1,3-dioxolane;4-Methyl-2-phenyl-1.3-dioxolane;4-methyl-2-phenyl-[1,3]dioxolane;STL563187;4-Methyl-2-phenyl-1,3-dioxolane #;AKOS015915489;Benzaldehydepropyleneglycolacetal;98%;CS-W010835;HY-W010119;AS-61304;SY035743;B1094;FT-0622627;D70175;4 - methyl - 2 - phenyl - 1,3 - dioxolane;A817972;BENZALDEHYDE PROPYLENE GLYCOL ACETAL [FHFI];W-107226;BENZALDEHYDE PROPYLENE GLYCOL ACETAL [USP-RS];Q27277235;BROMOETHYL1,2-DIPALMITOYL-RAC-GLYCERO-3-PHOSPHATE;Benzaldehyde propylene glycol acetal, United States Pharmacopeia (USP) Reference Standard

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

Chemical Property:

• Appearance/Colour: Clear colorless to yellowish oily liquid
• Refractive Index: n20/D 1.509(lit.)
• Boiling Point: 242.4 °C at 760 mmHg
• Flash Point: 101.7 °C
• PSA: 18.46000
• Density: 1.059 g/cm³
• LogP: 2.12050
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Benzaldehyde Propylene Glycol Acetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1COC(O1)C2=CC=CC=C2
• Uses: Benzaldehyde Propylene Glycol Acetal, is a building block used in various chemical synthesis.

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

There total 14 articles about 4-Methyl-2-phenyl-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: 99.7%

propylene glycol (57-55-6,63625-56-9) + benzaldehyde (100-52-7) → 4-methyl-2-phenyl-1,3-dioxolane (2568-25-4)

Guidance literature:

With cyclohexane; at 105 ℃; for 1h; Dean-Stark;

DOI:10.1039/c8ra04471f

Reference yield: 99.0%

1,3:4,6-di-O-benzylidene-D-mannitol (28224-73-9) → 4-methyl-2-phenyl-1,3-dioxolane (2568-25-4) + mannitol (69-65-8)

Guidance literature:

With propylene glycol; toluene-4-sulfonic acid; In dichloromethane; for 1h;

DOI:10.1016/S0008-6215(00)90486-5

Reference yield: 9.0%

benzaldehyde (100-52-7) + orthoformic acid triethyl ester (122-51-0) → 4-methyl-2-phenyl-1,3-dioxolane (2568-25-4)

Guidance literature:

With tetra-N-butylammonium tribromide; In propylene glycol; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b02833

upstream raw materials:

propylene glycol

benzaldehyde dimethyl acetal

benzaldehyde

1,3:4,6-di-O-benzylidene-D-mannitol

Downstream raw materials:

Benzoesaeure-(2-brom-propylester)

2-benzoyloxy-1-bromopropane

3-benzyloxypropan-1-ol

benzyloxy-2-propanol

Refernces

• 1、 Lindroth, Rickard,Ondrejková, Alica,Wallentin, Carl-Johan. "Visible-Light Mediated Oxidative Fragmentation of Ethers and Acetals by Means of Fe(III) Catalysis". supporting information. p. 1662 - 1667. Retrieved 2022/03/14.
• 2、 Díaz, Urbano,Moreno, José María,Velty, Alexandra. "MOFs based on 1D structural sub-domains with Br?nsted acid and redox active sites as effective bi-functional catalysts". . p. 3572 - 3585. Retrieved 2020/06/25.