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DIMETHYL 4-OXO-1,2-CYCLOPENTANEDICARBOXYLATE is a colorless liquid chemical compound with the molecular formula C9H12O4. It is an ester formed from the condensation of dimethyl malonate and cyclopentanone, characterized by a fruity odor and low toxicity. However, it is flammable and can cause skin and eye irritation, requiring careful handling.

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  • 6453-07-2 Structure
  • Basic information

    1. Product Name: DIMETHYL 4-OXO-1,2-CYCLOPENTANEDICARBOXYLATE
    2. Synonyms: DIMETHYL 4-OXO-1,2-CYCLOPENTANEDICARBOXYLATE;4-OXO-CYCLOPENTANE-1,2-DICARBOXYLIC ACID DIMETHYL ESTER;(1R,2R)-DIMETHYL 4-OXOCYCLOPENTANE-1,2-DICARBOXYLATE;1,2-Cyclopentanedicarboxylic acid, 4-oxo-, 1,2-dimethyl ester;Dimethyl 4-oxocyclopentane-1,2-dicarboxylate
    3. CAS NO:6453-07-2
    4. Molecular Formula: C9H12O5
    5. Molecular Weight: 200.18858
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 6453-07-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 299°C at 760 mmHg
    3. Flash Point: 130.6°C
    4. Appearance: /
    5. Density: 1.247g/cm3
    6. Vapor Pressure: 0.00123mmHg at 25°C
    7. Refractive Index: 1.474
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: DIMETHYL 4-OXO-1,2-CYCLOPENTANEDICARBOXYLATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: DIMETHYL 4-OXO-1,2-CYCLOPENTANEDICARBOXYLATE(6453-07-2)
    12. EPA Substance Registry System: DIMETHYL 4-OXO-1,2-CYCLOPENTANEDICARBOXYLATE(6453-07-2)
  • 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: 6453-07-2(Hazardous Substances Data)

6453-07-2 Usage

Uses

Used in Pharmaceutical Industry:
DIMETHYL 4-OXO-1,2-CYCLOPENTANEDICARBOXYLATE is used as an intermediate in the synthesis of pharmaceuticals for its ability to contribute to the formation of complex molecular structures, enhancing the development of new drugs.
Used in Agrochemical Industry:
DIMETHYL 4-OXO-1,2-CYCLOPENTANEDICARBOXYLATE is used as an intermediate in the synthesis of agrochemicals, playing a role in the production of pesticides and other agricultural chemicals to improve crop protection and yield.
Used in Organic Synthesis:
DIMETHYL 4-OXO-1,2-CYCLOPENTANEDICARBOXYLATE is used as a reagent in organic synthesis, facilitating various chemical reactions and contributing to the creation of a wide range of organic compounds for different applications.

Check Digit Verification of cas no

The CAS Registry Mumber 6453-07-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,4,5 and 3 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 6453-07:
(6*6)+(5*4)+(4*5)+(3*3)+(2*0)+(1*7)=92
92 % 10 = 2
So 6453-07-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H12O5/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h6-7H,3-4H2,1-2H3/t6-,7-/m1/s1

6453-07-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name dimethyl 4-oxocyclopentane-1,2-dicarboxylate

1.2 Other means of identification

Product number -
Other names 1,2-Cyclopentanedicarboxylic acid,4-oxo-,dimethyl ester

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:6453-07-2 SDS

6453-07-2Relevant articles and documents

THIENOPYRIMIDINE DERIVATIVE AND USE THEREOF IN MEDICINE

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Paragraph 00229, (2018/08/12)

The present invention relates to a thienopyrimidine derivative and use thereof in medicine, and also to a pharmaceutical composition containing the compound. The compound or pharmaceutical composition is used for inhibiting acetyl-CoA carboxylase (ACC). The present invention also relates to a method of preparing such compound and pharmaceutical composition, as well as their use in the treatment or prevention of diseases regulated by acetyl-CoA carboxylase in mammals, especially in humans.

PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV

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Page/Page column 22; 32, (2017/01/09)

Disclosed is a process for the preparation of certain intermediates, e.g. those in the scheme below: which intermediates and processes are useful in the preparation of the macrocyclic HVC inhibitor Simeprevir.

The Synthesis of Novel Trans-Oxabicyclo[3,3,0]octane Systems as Potential Inhibitors of HIV Protease

Mahler, Mikael E.,Palmer, Michael J.

, p. 193 - 194 (2007/10/03)

The novel trans-3-oxabicyclo[3,3.0]octan-7-one system has been prepared by intramolecular ring closure of the corresponding cyclopentane diol. Peralkylation and benzylidene substitution of the octanone has allowed the preparation of tetra-alkylated potential inhibitors of HIV protease. Weak activity against HIV protease (IC50's 70-100μM) was observed.

Synthesis and pharmacological characterization of aminocyclopentanetricarboxylic acids: New tools to discriminate between metabotropic glutamate receptor subtypes

Acher, Francine C.,Tellier, Frédérique J.,Azerad, Robert,Brabet, Isabelle N.,Fagni, Laurent,Pin, Jean R.

, p. 3119 - 3129 (2007/10/03)

The four stereoisomers of 1-aminocyclopentane-1,3,4-tricarboxylic acid {ACPT-I (18) and -II (19), (3R,4R)-III [(-)-20], and (3S,4S)-III [(+)-20]} have been synthesized and evaluated for their effects at glutamate receptors subtypes. ACPTs are ACPD analogues in which a third carboxylic group has been added at position 4 in the cyclopentane ring. None of the ACPT isomers showed a significant effect on ionotropic NMDA, KA, and AMPA receptors. On the other hand, ACPT-III (19) was found to be a general competitive antagonist for metabotropic receptors (mGluRs) and exhibited a similar affinity for mGluR1a (K(B) = 115 ± 2 μM), mGluR2 (K(B) = 88 ± 21 μM), and mGluR4a (K(B) = 77 ± 9 μM), the representative members of group I, II and III mGluRs, respectively. Two other isomers, ACPT-I (18) and (+)-(3S,4S)-ACPT-III [(+)- 20], were potent agonist at the group III receptors mGluR4a (EC50 = 7.2 ± 2.3 and 8.8 ± 3.2 μM) and competitive antagonists with low affinity for mGluR1a and mGluR2 (K(B) > 300 μM). Finally, (-)-(3R,4R)-ACPT-III [(-)-20] was a competitive antagonist with poor but significant affinity for mGluR4a (K(B) = 220 μM). These results demonstrate that the addition of a third carboxylic group to ACPD can change its activity (from agonist to antagonist) and either increase or decrease its selectivity and/or affinity for the various mGluR subtypes.

SYNTHESIS OF RING-ENLARGED CYCLOBUT-A AND CYCLOBUT-G ANALOGUES AS HIV INHIBITORS. PART 4

Boumchita, Hassane,Legraverend, Michel,Bisagni, Emile

, p. 1785 - 1792 (2007/10/02)

Two ring-expanded analogues (compounds 13 and 14) of the anti-HIV agents Cyclobut-A and Cyclobut-G are described.They were synthesized from trans-3,4-bis(hydroxymethyl)cyclobutylamine which was obtained from threo-3,4-bis(methoxycarbonyl)hexane dioic acid.Neither compound (13,14) was able to provide protection to CEM cells against HIV-1-infection.

Enzyme-Catalyzed Asymmetric Synthesis. 8. Enantioselectivity of Pig Liver Esterase Catalyzed Hydrolyses of 4-Substituted Meso Cyclopentane 1,2-Diesters

Gais, Hans-Joachim,Buelow, Gerd,Zatorski, Andrzej,Jentsch, Mathias,Maidonis, Peter,Hemmerle, Horst

, p. 5115 - 5122 (2007/10/02)

Hydrolyses of meso-1,2-cyclopentanedicarboxylic acid bis(methyl esters) bearing in the 4-position an oxo, methylene, cis-hydroxy, trans-hydroxy,cis-acetoxy, trans-acetoxy, cis-methoxy, cis-tert-butoxy, ethylenedioxy, propylenedioxy, dimethyl propylenediox

Diastereoselectivity of a Annulation. On the Question of a Dipole Effect on Diastereoselectivity of Olefin Addition

Trost, Barry M.,Lynch, Joseph,Renaut, Patrice

, p. 6313 - 6316 (2007/10/02)

The stereochemistry of addition to γ-alkoxy-α,β-unsaturated carbonyl systems is examined in the context of a palladium catalyzed cycloaddition.

A SYNTHESIS OF (+/-)-BREFELDIN A

Honda, Masanori,Hirata, Kazumasa,Sueoka, Hiroyuki,Katsuki, Tsutomu,Yamaguchi, Masaru

, p. 2679 - 2682 (2007/10/02)

A macrolide antibiotic, brefeldin A, was synthesized from trans-4-oxocyclopentane-1,2-dicarboxylic acid in a stereoselective manner, the intermediary hydroxyl acid being lactonized by the mixed 2,4,6-trichlorobenzoic acid anhydride - 4-dimethylaminopyridi

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