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2-Benzzyl-malonic acid tert-butyl ester methyl ester is a complex organic compound with the chemical formula C14H18O5. It is a derivative of malonic acid, featuring a benzyl group attached to the 2-position and both a tert-butyl ester and a methyl ester group. 2-benzyl-malonic acid tert-butyl ester methyl ester is characterized by its white crystalline appearance and is soluble in organic solvents. It is synthesized through a series of chemical reactions, often involving the protection of the malonic acid moiety with ester groups to prevent unwanted side reactions. The compound is used as an intermediate in the synthesis of various pharmaceuticals and other organic compounds, taking advantage of its reactivity and the ability to selectively remove the protecting groups when needed. Its stability and functional group versatility make it a valuable building block in organic chemistry.

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  • 4491-46-7 Structure
  • Basic information

    1. Product Name: 2-benzyl-malonic acid tert-butyl ester methyl ester
    2. Synonyms: 2-benzyl-malonic acid tert-butyl ester methyl ester
    3. CAS NO:4491-46-7
    4. Molecular Formula:
    5. Molecular Weight: 264.321
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 4491-46-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-benzyl-malonic acid tert-butyl ester methyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-benzyl-malonic acid tert-butyl ester methyl ester(4491-46-7)
    11. EPA Substance Registry System: 2-benzyl-malonic acid tert-butyl ester methyl ester(4491-46-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 4491-46-7(Hazardous Substances Data)

4491-46-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4491-46-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,9 and 1 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 4491-46:
(6*4)+(5*4)+(4*9)+(3*1)+(2*4)+(1*6)=97
97 % 10 = 7
So 4491-46-7 is a valid CAS Registry Number.

4491-46-7Relevant articles and documents

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

Hang, Wei,Liang, Nianjie,Liu, Yuzhou,Xi, Chanjuan

, p. 4941 - 4946 (2021/10/30)

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.

Asymmetric Michael addition of malonic diesters to acrylates by phase-transfer catalysis toward the construction of quaternary stereogenic α-carbons

Odanaka, Yuki,Kanemitsu, Takuya,Iwasaki, Kanako,Mochizuki, Yukiko,Miyazaki, Michiko,Nagata, Kazuhiro,Kato, Masaru,Itoh, Takashi

supporting information, p. 209 - 219 (2018/12/11)

A highly enantioselective construction of an all-carbon quaternary stereogenic center at the α-position of malonic diesters has been achieved by Michael addition using phase-transfer catalysis. The reaction of α-monosubstituted malonates with acrylates in

Enantioselective α-Benzoyloxylation of Malonic Diesters by Phase-Transfer Catalysis

Kanemitsu, Takuya,Sato, Miho,Yoshida, Miyuki,Ozasa, Eisuke,Miyazaki, Michiko,Odanaka, Yuki,Nagata, Kazuhiro,Itoh, Takashi

supporting information, p. 5484 - 5487 (2016/11/17)

A highly enantioselective α-benzoyloxylation of malonic diester has been achieved by phase-transfer catalysis. The reaction of α-monosubstituted tert-butyl methyl malonate with benzoyl peroxide in the presence of aqueous KOH and N-(9-anthracenylmethyl)cinchoninium chloride afforded the corresponding α,α-disubstituted products in generally excellent chemical yields (up to 99% yield) with high enantioselectivities (up to 96% ee). In addition, the utility of this methodology was exhibited by the synthesis of a mineralocorticoid receptor antagonist.

FACTOR XIa INHIBITORS

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Page/Page column 80; 82, (2015/12/09)

The present invention provides a compound of Formula (I) and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing thromboses, embolisms, hypercoagulability or fibrotic changes. The compounds are selective Factor XIa inhibitors or dual inhibitors of Factor XIa and plasma kallikrein.

Iron(iii)-salan complexes catalysed highly enantioselective fluorination and hydroxylation of β-keto esters and N-Boc oxindoles

Gu, Xin,Zhang, Yan,Xu, Zhen-Jiang,Che, Chi-Ming

, p. 7870 - 7873 (2014/07/08)

Chiral iron(iii)-salan complexes catalysed highly enantioselective α-fluorination and α-hydroxylation of β-keto esters and N-Boc oxindoles to give the corresponding products in high yields and good-to-excellent ee values under mild reaction conditions. This journal is the Partner Organisations 2014.

Multi-catalysis cascade reactions based on the methoxycarbonylketene platform: Diversity-oriented synthesis of functionalized non-symmetrical malonates for agrochemicals and pharmaceuticals

Ramachary, Dhevalapally B.,Venkaiah, Chintalapudi,Reddy, Y. Vijayendar,Kishor, Mamillapalli

supporting information; scheme or table, p. 2053 - 2062 (2009/09/05)

In this paper we describe new multi-catalysis cascade (MCC) reactions for the one-pot synthesis of highly functionalized non-symmetrical malonates. These metal-free reactions are either five-step (olefination/hydrogenation/alkylation/ ketenization/esterif

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