81631-63-2

Basic information

• Product Name: 1-Methoxycarbonyl-4-propylbenzene
• Synonyms: 1-Methoxycarbonyl-4-propylbenzene;4-Propylbenzoic acid methyl ester;p-Propylbenzoic acid methyl ester;Methyl 4-propylbenzoate
• CAS NO: 81631-63-2
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.23
• Mol File: 81631-63-2.mol
• Article Data: 17

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-Methoxycarbonyl-4-propylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Methoxycarbonyl-4-propylbenzene(81631-63-2)
• EPA Substance Registry System: 1-Methoxycarbonyl-4-propylbenzene(81631-63-2)

Safety Data

• Hazardous Substances Data: 81631-63-2(Hazardous Substances Data)

Usage

Physical state

Colorless liquid

Odor

Mild, sweet

Usage in food industry

Flavoring agent

Usage in cosmetics and perfumery

Fragrance ingredient

Application in pharmaceuticals

Intermediate in synthesis

Application in organic compounds

Intermediate in synthesis

Potential applications

Organic synthesis, chemical building block for specialty chemicals

Precaution

May pose health and environmental risks if not properly managed

Upstream product

• 67-56-1 methanol 
• 52710-27-7 4-propylbenzoyl chloride 
• 17745-40-3 methyl p-propanoylbenzoate 
• 62452-73-7 1-ethynyl-4-propylbenzene 
• 113100-81-5 4-(3-oxo-propyl)-benzoic acid methyl ester 
• 619-42-1 4-methoxycarbonylphenyl bromide 
• 77047-87-1 isopropyl zinc bromide 
• 75-30-9 2-iodo-propane 
• 619-44-3 methyl 4-iodobenzoate 
• 1126-46-1 Methyl 4-chlorobenzoate 
• 2438-05-3 4-n-propylbenzoic acid 
• 124-41-4 sodium methylate 

Downstream Products

• 113100-86-0 4-(3-bromo-propyl)-benzoic acid methyl ester 
• 1345861-00-8 3-acetyl-5-(4-n-propylphenyl)-2-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole 
• 1452784-07-4 C₁₁H₁₂N₂OS 
• 1452784-17-6 C₁₄H₁₄N₂OS 
• 1452784-00-7 C₂₅H₂₄F₂N₈O₂S 
• 58764-22-0 methyl 4-(2-bromopropanoyl)benzoate 
• 2438-05-3 4-n-propylbenzoic acid 
• 1307812-58-3 7-methoxy-3-(4-propylphenyl)-4,5-dihydronaphtho[1,2-c]isoxazole 
• 1307812-61-8 3-(4-propylphenyl)-4,5-dihydronaphtho[1,2-c]isoxazole-7-carbaldehyde 
• 1307812-60-7 3-(4-propylphenyl)-7-vinyl-4,5-dihydronaphtho[1,2-c]isoxazole 
• 1307812-59-4 3-(4-propylphenyl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate 
• 1307809-67-1 (R)-3-(3-(4-propylphenyl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yloxy)propane-1,2-diol 
• 1307809-65-9 1-((3-(4-propylphenyl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)methyl)azetidine-3-carboxylic acid 
• 1307809-63-7 3-(4-propylphenyl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-ol 

Relevant articles and documents

Photocatalytic transfer hydrogenolysis of aromatic ketones using alcohols

A mild method of photocatalytic deoxygenation of aromatic ketones to alkyl arenes was developed, which utilized alcohols as green hydrogen donors. No hydrogen evolution during this transformation suggested a mechanism of direct hydrogen transfer from alcohols. Control experiments with additives indicated the role of acid in transfer hydrogenolysis, and catalyst characterization confirmed a larger number of Lewis acidic sites on the optimal Pd/TiO2 photocatalyst. Hence, a combination of hydrogen transfer sites and acidic sites may be responsible for efficient deoxygenation without additives. The photocatalyst showed reusability and achieved selective reduction in a variety of aromatic ketones.

Unusual orthogonality in the cleavage process of closely related chelating protecting groups for carboxylic acids by using different metal ions

Three structurally related relay protecting groups for carboxylic acids that are based on chelating amines have been developed. These protecting groups can easily be introduced by coupling the carboxylic acid and the corresponding amine in the presence of 2-(1Hbenzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate (TBTU). In addition to being stable to a whole array of reaction conditions, these protecting groups are also stable under acidic and basic conditions, allowing them to be used in combination with the ester protection of carboxylic acids. The cleavage of these protecting groups is activated by the chelation of metal ions, involving an unusual coordination of the amide nitrogen. Despite their similarity, cleavage of these protecting groups is possible in both a stepwise and an orthogonal fashion by applying different metal salts.

PIFA-mediated esterification reaction of alkynes with alcohols via oxidative cleavage of carbon triple bonds

A metal-free esterification of alkynes via C≡C triple bond cleavage has been developed. In the presence of phenyliodine bis(trifluoroacetate), a diverse range of alkyne and alcohol substrates undergoes triple bond cleavage to produce carboxylic ester motifs in moderate to good yields. The transformation is proposed to proceed via hydroxyethanones and ethanediones as intermediates on the basis of mechanistic studies and exhibits a broad substrate scope and good functional group tolerance.