6946-99-2

Basic information

• Product Name: 1-O-benzoyl-1,3-propanediol
• Synonyms: 1-O-benzoyl-1,3-propanediol
• CAS NO: 6946-99-2
• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.20048
• Mol File: 6946-99-2.mol
• Article Data: 51

Chemical Properties

• Appearance: /
• Density: 1.349g/cm³
• Refractive Index: 1.717
• CAS DataBase Reference: 1-O-benzoyl-1,3-propanediol(CAS DataBase Reference)
• NIST Chemistry Reference: 1-O-benzoyl-1,3-propanediol(6946-99-2)
• EPA Substance Registry System: 1-O-benzoyl-1,3-propanediol(6946-99-2)

Safety Data

• Hazardous Substances Data: 6946-99-2(Hazardous Substances Data)

Usage

Benzoyl group attachment

Oxygen atom The benzoyl group is attached to the oxygen atom in the 1,3-propanediol structure, making it a derivative of 1,3-propanediol.

Usage as a reagent or intermediate

Organic synthesis 1-O-benzoyl-1,3-propanediol is commonly used in organic synthesis as a reagent or intermediate due to its versatile chemical properties.

Chemical reactions

Esterification, Acylation The compound can undergo various chemical reactions, such as esterification and acylation, making it a valuable building block for synthesizing more complex organic molecules.

Potential applications

Medicinal chemistry 1-O-benzoyl-1,3-propanediol has been studied for its potential applications in the field of medicinal chemistry, indicating its importance in the development of new drugs and therapies.

InChI:InChI=1/C23H19N3O2S2/c1-2-28-19-9-5-8-18(13-19)21(27)25-22(29)26-23-24-20(14-30-23)17-11-10-15-6-3-4-7-16(15)12-17/h3-14H,2H2,1H3,(H2,24,25,26,27,29)

Upstream product

• 772-01-0 2-phenyl-1,3-dioxane 
• 93-97-0 benzoic acid anhydride 
• 504-63-2 trimethyleneglycol 
• 613-90-1 benzoyl cyanide 
• 100-52-7 benzaldehyde 
• 133992-66-2 3-(benzyloxy)propyl benzoate 
• 99853-46-0 3-bromo-2,2-bis-bromomethyl-1-phenyl-propan-1-one 
• 98-88-4 benzoyl chloride 
• 501-65-5 diphenyl acetylene 
• 29822-79-5 4-(2-phenylethynyl)benzonitrile 
• 673-32-5 1-Phenylprop-1-yne 
• 65-85-0 benzoic acid 
• 156-87-6 propan-1-ol-3-amine 
• 16133-83-8 tetrahydro-2-phenylfuran 

Downstream Products

• 89538-89-6 Benzoic acid 3-(1-benzyloxy-1-methyl-ethoxy)-propyl ester 
• 91922-69-9 Benzoic acid 3-(1-benzyloxy-2-fluoro-1-methyl-ethoxy)-propyl ester 
• 99058-97-6 3-oxopropyl benzoate 
• 245758-34-3 benzoic acid (3-iodopropyl) ester 
• 152036-76-5 (E,5R)-7-benzoyloxy-1-chloro-5-hydroxyhept-1-en-3-one 
• 1453495-52-7 (S)-3-(1-cyanoethoxy)propyl benzoate 
• 1453495-35-6 3-(vinyloxy)propyl benzoate 
• 769-78-8 vinyl benzoate 

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