49769-78-0

Basic information

• Product Name: DIMETHYL BENZYLMALONATE
• Synonyms: DIMETHYL BENZYLMALONATE;BENZYLMALONIC ACID DIMETHYL ESTER;Propanedioic acid, (phenylMethyl)-, diMethyl ester
• CAS NO: 49769-78-0
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• Mol File: 49769-78-0.mol
• Article Data: 53

Chemical Properties

• Boiling Point: 285 °C
• Flash Point: 139.5°C
• Appearance: /
• Density: 1.13
• Vapor Pressure: 0.00315mmHg at 25°C
• Refractive Index: 1.4970 to 1.5010
• PKA: 12.52±0.46(Predicted)
• CAS DataBase Reference: DIMETHYL BENZYLMALONATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIMETHYL BENZYLMALONATE(49769-78-0)
• EPA Substance Registry System: DIMETHYL BENZYLMALONATE(49769-78-0)

Safety Data

• Hazardous Substances Data: 49769-78-0(Hazardous Substances Data)

Usage

General Description

DIMETHYL BENZYLMALONATE is a chemical compound with the molecular formula C12H14O4. It is commonly used in the fragrance industry as a scent ingredient, providing a sweet, fruity, and floral aroma. DIMETHYL BENZYLMALONATE is clear and colorless, and it is a clear liquid at room temperature. DIMETHYL BENZYLMALONATE is considered to be safe for use in cosmetics and personal care products when used in accordance with regulations and guidelines. It is mainly used as a fragrance ingredient in perfumes, lotions, and other scented products.

InChI:InChI=1/C12H14O4/c1-15-11(13)10(12(14)16-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3

Upstream product

• 100-44-7 benzyl chloride 
• 108-59-8 malonic acid dimethyl ester 
• 67-56-1 methanol 
• 616-75-1 2-benzylmalonic acid 
• 613-31-0 9,10-dihydroanthracene 
• 6626-84-2 dimethyl 2-benzylidenepropanedioate 
• 1450-14-2 1,1,1,2,2,2-hexamethyldisilane 
• 100-39-0 benzyl bromide 
• 103-26-4 Methyl cinnamate 
• 96-32-2 bromoacetic acid methyl ester 
• 124-41-4 sodium methylate 
• 607-81-8 diethyl 2-benzylmalonate 
• 31469-15-5 1-methoxy-2-methyl-1-trimethylsiloxy-1-propene 
• 60-29-7 diethyl ether 

Downstream Products

• 29653-27-8 methyl α-bromo-α-benzylmalonate 
• 117866-98-5 (1-ethoxycarbonylmethyl-6,7-dimethoxy-3,4-dihydro-1H-[2]isoquinolylmethyl)-benzyl-malonic acid dimethyl ester 
• 60903-89-1 tetramethyl 1,4-diphenyl-2,2,3,3-butanetetracarboxylate 
• 51122-87-3 (2,2-Bis-methoxycarbonyl-3-phenyl-propyl)-trimethyl-ammonium; iodide 
• 132629-17-5 dimethyl 2-benzyl-2-(<11C>methyl)malonate 
• 136859-90-0 2-Benzyl-2-((E)-1,3-diphenyl-allyl)-malonic acid dimethyl ester 
• 2612-30-8 2-benzyl-1,3-propanediol 
• 95929-64-9 benzylmethylpropanedioic acid dimethyl ester 
• 91327-99-0 15-benzyl-1,4,7,10,13-pentaazacyclohexadecane-14,16-dione 
• 121191-42-2 dibenzyl 2-benzylmalonate 
• 169689-10-5 dimethyl (2'E,1'R)-2-(1'-acetoxy-3'-phenyl-2'-propenyl)-2-benzylmalonate 
• 72587-96-3 3-benzyl-4-hydroxy-1-methylquinolin-2(1H)-one 
• 124090-10-4 dimethyl (4-nitrobenzyl)propanedioate 
• 167898-24-0 3-benzyl 2,2-dimethyl 1-phenyl-2,2,3-butanetricarboxylate 

Relevant articles and documents

Reaction of dicarbomethoxycarbene with thiophene derivatives

Photolysis of derivatives of dimethylmalonate thiophene-S,C-ylide provides dicarbomethoxycarbene, which can react with thiophene to form dimethyl (2-thienyl)malonate. By generation of dicarbomethoxycarbene from the dibenzothiophene-based ylide in neat thi

Cobalt-Catalyzed Highly Regioselective Three-Component Arylcarboxylation of Acrylate with Aryl Bromides and Carbon Dioxide

Cobalt-catalyzed regioselective three-component arylcarboxylation of acrylate with aryl bromides and carbon dioxide has been developed. The reaction is carried out by using cobalt chloride as a precatalyst and zinc powder as a reducing reagent under CO2 (1 atm) at 40 °C. A range of aryl bromides are used for this reaction, leading to a series of valuable carboxylic acids with high regioselectivity and functional-group compatibility. Mechanistic experiments and DFT calculations indicate that this arylcarboxylation reaction involves the reaction of CO2 with a cobalt enolate intermediate to form the C?C bond.

Au-Cavitand Catalyzed Alkyne-Acid Cyclizations

Supramolecular cavitands that contain inwardly directed functional groups have yielded specialized transformations and trapping of reactive intermediates. A recently reported 3-wall Au cavitand provides exciting opportunities for supramolecular catalysis. In this study, a variety of substituted γ-alkynoic acids were reacted to give lactones. The interaction of peripheral “R” groups revealed differential catalyst behavior. Extremely large and small groups reacted with appreciable rate. Intermediate sized groups however, slowed significantly: giving support that size-specific binding is at play when using cavitands as a scaffold for gold catalysis. These results serve as some of the first evidence of the interplay between substrate and cavitand interior in the catalytic sphere.

Palladium-Catalyzed [3 + 2]-C-C/N-C Bond-Forming Annulation

The synthesis of bi- and tricyclic structures incorporating pyrrolidone rings is disclosed, starting from resonance-stabilized acetamides and cyclic α,β-unsaturated-γ-oxycarbonyl derivatives. This process involves an intermolecular Tsuji-Trost allylation/intramolecular nitrogen 1,4-addition sequence. Crucial for the success of this bis-nucleophile/bis-electrophile [3 + 2] annulation is its well-defined step chronology in combination with the total chemoselectivity of the former step. When the newly formed annulation product carries a properly located o-haloaryl moiety at the nitrogen substituent, a further intramolecular keto α-arylation can join the cascade, thereby forming two new cycles and three new bonds in the same synthetic operation.