6270-04-8

Basic information

• Product Name: 1-Phenyl-1,3-propanediol diacetate
• Synonyms: 1-Phenyl-1,3-propanediol diacetate
• CAS NO: 6270-04-8
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.2637
• EINECS: 228-446-3
• Mol File: 6270-04-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 327.3°Cat760mmHg
• Flash Point: 158.3°C
• Appearance: /
• Density: 1.111g/cm³
• Vapor Pressure: 0.000204mmHg at 25°C
• Refractive Index: 1.5
• CAS DataBase Reference: 1-Phenyl-1,3-propanediol diacetate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Phenyl-1,3-propanediol diacetate(6270-04-8)
• EPA Substance Registry System: 1-Phenyl-1,3-propanediol diacetate(6270-04-8)

Safety Data

• Hazardous Substances Data: 6270-04-8(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 93, p. 6313, 1971 DOI: 10.1021/ja00752a078

InChI:InChI=1/C13H16O4/c1-10(14)16-9-8-13(17-11(2)15)12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3

Upstream product

• 3240-34-4 [bis(acetoxy)iodo]benzene 
• 122-72-5 3-phenylpropyl acetate 
• 591-87-7 Allyl acetate 
• 71-43-2 benzene 
• 145372-92-5 4-phenyl-4H-1,3-dioxin 
• 108-24-7 acetic anhydride 
• 4850-49-1 1-phenyl-1,3-propanediol 
• 2327-99-3 1-phenylpropadiene 
• 673-32-5 1-Phenylprop-1-yne 
• 873-49-4 cyclopropylbenzene 
• 772-00-9 4-phenyl-1,3-dioxane 
• 769-78-8 vinyl benzoate 
• 563-63-3 silver(I) acetate 
• 10147-11-2 propargyl benzene 

Downstream Products

• 93155-22-7 1-Phenyl-propandiol-(1,3)-3-ethoxy-1-isopropyloxy-methylether 
• 93155-23-8 1-Phenyl-propandiol-(1,3)-3-isopropyloxy-1-ethoxy-methylether 
• 93807-70-6 1-Phenyl-propanol-⁽¹⁾-3-methoxy-butylether 
• 91905-84-9 1-Phenyl-propanol-⁽¹⁾-3-methoxy-propylether 
• 93088-48-3 1-Phenyl-propanol-⁽¹⁾-3-methoxy-isopropylether 
• 95565-05-2 1-Phenyl-propandiol-(1,3)-dimethoxy-dihexylether 
• 97017-21-5 1-Phenyl-propandiol-(1,3)-dimethoxy-dipentylether 
• 97017-20-4 1-Phenyl-propandiol-(1,3)-dimethoxy-diisopentylether 
• 95800-49-0 1-Phenyl-propandiol-(1,3)-diisobutyloxy-dimethylether 
• 94435-65-1 1-Phenyl-propandiol-(1,3)-dibutyloxy-dimethylether 
• 93541-68-5 1-Phenyl-propandiol-(1,3)-diisopropyloxy-dimethylether 
• 93541-67-4 1-Phenyl-propandiol-(1,3)-dipropyloxy-dimethylether 
• 92861-04-6 1-Phenyl-propandiol-(1,3)-diethoxy-dimethylether 
• 91906-69-3 1-Phenyl-propandiol-(1,3)-dimethoxy-dimethylether 

Relevant articles and documents

Benzylic-acetoxylation of alkylbenzenes with PhI(OAc)2 in the presence of catalytic amounts of TsNH2 and I2

Treatment of alkylbenzenes with (diacetoxyiodo)benzene in the presence of catalytic amounts of p-toluenesulfonamide or p-nitrobenzenesulfonamide, and molecular iodine in 1,2-dichloroethane at 60 °C gave the corresponding (α-acetoxy)alkylbenzenes in good to moderate yields. The present reaction is a simple method for the introduction of an acetoxy group to the benzylic position of alkylbenzenes.

THE PALLADIUM-CATALYZED ARYLATION OF 4-H-1,3-DIOXIN

4H-1,3-Dioxin was firstly arylated by using Heck reaction, and the reaction in the presence of (R)-BINAP gave enantiomerically enriched 4-phenyldioxin which was converted into optically active 1-phenyl-1,3-propanediol.

DIRECT IODINATION OF ARYLCYCLOPROPANES

In reaction with phenylcyclopropane in carbon tetrachloride, nitromethane, or chloroform at temperatures between -10 and 20 deg C the complexes of iodine with (bistrifluoroacetoxyiodo)benzene and (diacetoxyiodo)benzene only give the products from the opening of the small ring.By means of the iodine-(diacetoxyiodo)benzene system in the reaction with arylcyclopropanes in a mixture of chloroform and trifluoroacetic acid at -30 deg C it is possible to obtain the products from iodination in the aromatic ring.