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Methyl 3-methyl-3-phenyloxirane-2-carboxylate is a chemical compound with the molecular formula C11H12O3. It is a colorless liquid at room temperature and is soluble in most organic solvents. methyl 3-methyl-3-phenyloxirane-2-carboxylate is an epoxide derivative, featuring a three-membered ring structure with a carbon-oxygen bond and a methyl group attached to the carbon atom. The phenyl group is also attached to the same carbon atom, making it a substituted phenyl epoxide. Methyl 3-methyl-3-phenyloxirane-2-carboxylate is used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals due to its unique reactivity and structural properties.

5441-04-3

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5441-04-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5441-04-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,4 and 1 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 5441-04:
(6*5)+(5*4)+(4*4)+(3*1)+(2*0)+(1*4)=73
73 % 10 = 3
So 5441-04-3 is a valid CAS Registry Number.

5441-04-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-methyl-3-phenyloxirane-2-carboxylate

1.2 Other means of identification

Product number -
Other names 2.3-Epoxy-3-phenyl-buttersaeure-methylester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5441-04-3 SDS

5441-04-3Relevant academic research and scientific papers

A general method for synthesis of cis-dicarbonyl epoxides through DBU/LiBr-cocatalyzed cyclization of α,β-dicarbonyl peroxides

Zong, Zhenzhen,Bai, Xiaohui,Lu, Shenglin,Li, Zhiping

supporting information, p. 3827 - 3831 (2016/08/02)

A general method for synthesis of cis-dicarbonyl epoxides is developed. The highly diastereoselective cyclization of α,β-dicarbonyl peroxides is achieved by DBU/LiBr cocatalysis. The coordination of lithium ion with two carbonyl groups is proposed for the

Malodour reducing composition and uses thereof

-

, (2009/10/30)

The invention relates to a malodour reducing composition comprising: A) at least one phenylglycidate of formula (1): wherein: - R1 is a C1-C4 branched or linear alkyl group, - R2 is hydrogen or methyl, and - R3 is hydrogen, a C1-C4 branched or linear alkyl group or a methoxy group, and B) at least one 1,2 diketone of formula (2) or (3): wherein: - R4, R5 and R7 may be independently, a C1-C5 linear or branched alkyl or alkenyl group; - R6 is a (C1-C5) alkylidene; - R4 and R5 may also form a C4-C7 saturated or unsaturated alicyclic or heterocyclic ring structure, optionally substituted by (C1-C4) alkyl groups; - R6 and R7 may also form a C4-C7 unsaturated, alicyclic or heterocyclic ring structure optionally substituted by (C1-C4) alkyl groups; the weight ratio of glycidate A to 1,2 diketone B being from 1:99 to 99:1. The invention also relates to the fragrance compositions and consumer products containing this malodour reducing composition.

Design, synthesis, and evaluation of postulated transient intermediate and substrate analogues as inhibitors of 4-hydroxyphenylpyruvate dioxygenase

Lin, Yun-Loung,Huang, Jian-Lin,Wu, Chung-Shieh,Liu, Hung-Ge,Yang, Ding-Yah

, p. 1709 - 1713 (2007/10/03)

An epoxybenzoquinone, 4-hydroxyphenoxypropionic acid, and 2-hydroxy-3-phenyl-3-butenoic acid derivatives have been designed, synthesized, and evaluated for in vitro inhibition activity against 4-hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the spectrophotometric enol-borate method. The biological data demonstrated that neither epoxybenzoquinone ester nor 2-hydroxy-3-phenyl-3-butenoic acid is an inhibitor of 4-HPPD. The most potent 4-HPPD inhibitor tested was 3-hydroxy-4-phenyl-2(5H)-furanone with an IC50 value of 0.5 μM, which may serve as a lead compound for further design of more potent 4-HPPD inhibitors.

A facile preparation of indium enolates and their Reformatsky-and Darzens-type reactions

Hirashita, Tsunehisa,Kinoshita, Kenji,Yamamura, Hatsuo,Kawai, Masao,Araki, Shuki

, p. 825 - 828 (2007/10/03)

Indium enolates were readily prepared by transmetalation of lithium enolates with indium trichloride, and were subsequently reacted with aldehydes to give β-hydroxy esters in high yields. Indium α-bromo enolates were also prepared and reacted with carbonyl compounds to give Darzens-type α,β-epoxy carbonyl products. The Royal Society of Chemistry 2000.

Asymmetric induction in Darzens condensation by means of (-)-8-phenylmenthyl and (-)-menthyl auxiliaries

Takagi, Ryukichi,Kimura, Jyunji,Shinohara, Yoshihiro,Ohba, Yuko,Takezono, Kyoko,Hiraga, Yoshikazu,Kojima, Satoshi,Ohkata, Katsuo

, p. 689 - 698 (2007/10/03)

Asymmetric Darzens condensation of benzaldehyde and various ketones has been investigated. The condensation of acetophenone, propiophenone and symmetric ketones with (-)-8-phenylmenthyl halogenoacetates 3a,b afforded the corresponding glycidic esters cis-12, cis-13 and 15-19 in 77-96% de, respectively, as the major products. Aza-Darzens condensation between N-benzylideneaniline and 3a occurred to give the trans-aziridine 21 as the major isomer in >85% de. The stereochemistry of the major diastereoisomers of cis-12 and 18 was confirmed by their conversion into the known optically active diols 22 and 24. The configuration of the major product of cis-12 was determined to be 2R,3R and that of 18 to be 2R. The geometric and disastereofacial selectivities were understandable in terms of the open-chain or non-chelated antiperiplanar transition state model in the initial aldol-type reaction.

Asymmetric Darzens condensation of ketones with α-chloroacetates by means of (-)-8-phenylmenthyl auxiliary

Ohkata, Katsuo,Kimura, Jyunji,Shinohara, Yoshihiro,Takagi, Ryukichi,Hiraga, Yoshikazu

, p. 2411 - 2412 (2007/10/03)

The Darzens condensation of symmetric and unsymmetric ketones with (-)-8-phenylmenthyl α-chloroacetate diastereoselectively affords glycidic esters in 77-94% de; the stereochemistry [(2R,3R) configuration] of the product is understandable in terms of π-π interaction in the open transition state model.

Metal Exchange between an Electrogenerated Organonickel Species and Zinc Halide: Application to an Electrochemical, Nickel-Catalyzed Reformatsky Reaction

Conan, Annie,Sibille, Soline,Perichon, Jacques

, p. 2018 - 2024 (2007/10/02)

The mechanism of the electroreductive coupling of α-chloro esters or α-chloro nitriles with carbonyl compounds by the means of a sacrificial zinc anode and a nickel catalyst was elucidated by electroanalytical techniques.The mechanism involved reduction of a Ni(II) complex to a Ni(0) complex, oxidative addition of the α-chloro ester to the Ni(0) complex, and a Zn(II)/Ni(II) exchange, leading to an organozinc Reformatsky reagent.The electrosynthesis of various β-hydroxy esters, β-hydroxy nitriles, and 2,3-epoxy esters was successfully achieved under extremely mild conditions.

REACTION OF 4-SUBSTITUTED BENZALDEHYDES AND ACETOPHENONES WITH CHLOROACETONITRILE

Svoboda, Jiri,Kocfeldova, Zuzana,Palecek, Jaroslav

, p. 822 - 832 (2007/10/02)

Under conditions of phase-transfer catalysis or in homogeneous solution of potassium tert-butoxide the title compounds give stereoisomeric mixtures of substituted 2,3-epoxy nitriles III and IV.Alkaline hydrolysis of epoxy nitriles IV afforded the corresponding 2-arylpropanals in low yields.On treatment with methanol and potassium carbonate, epoxy nitriles III and IV were converted into epoxy esters in good yields.

The Use of Microorganisms in Organic Synthesis. IV. Microbiological Asymmetric Reduction of Methyl 3-Phenyl 2-Oxobutyrate

Akita, Hiroyuki,Furuichi, Akiya,Koshiji, Hiroko,Horikoshi, Koki,Oishi, Takeshi

, p. 1342 - 1348 (2007/10/02)

The synthesis of optically active α-hydroxy β-methyl esters V by means of microbiological reduction of the corresponding α-keto β-methyl esters IV was carried out.Methyl 3-phenyl-2-oxobutyrate 3 was found to be reduced by a variety of yeasts to the α-hydr

Dianions Derived from α-Halo Acids. The Darzens Condensation Revisited

Johnson, Carl R.,Bade, Thomas R.

, p. 1205 - 1212 (2007/10/02)

The dianions of α-halo carboxylic acids are readily generated by the addition of the acids to 2 equiv of lithium diisopropylamide at low temperatures.When the mixture warms to room temperature dimeric products are formed.When aldehydes and ketones were added to the cooled solutions of the dianions and the reaction mixtures were allowed to warm to room temperature, followed by acid quench, glycidic acids were formed.The glycidic acids, per se, were often too unstable to be isolated and purified but could be analyzed by conversion to their methyl esters withdiazomethane.When the reactions were quenched prematurely, α-chloro-β-hydroxy carboxylic acids were isolated.Homologated aldehydes and ketones were obtained from the glycidic acids by catalytic and thermal decarboxylation methods.

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