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2,4-Dimethyl-4-nitrovaleric acid methyl ester is an organic compound characterized by the chemical formula C7H11NO4. It is a methyl ester derivative of 2,4-dimethyl-4-nitrovaleric acid, known for its potent nitroalkanes functional group. This yellow solid is sparingly soluble in water but exhibits good solubility in most organic solvents, making it a versatile intermediate in chemical synthesis.

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  • 5762-40-3 Structure
  • Basic information

    1. Product Name: 2,4-Dimethyl-4-nitrovaleric acid methyl ester
    2. Synonyms: 2,4-Dimethyl-4-nitrovaleric acid methyl ester;methyl2,4-dimethyl-4-nitropentanoate;EOS-61811
    3. CAS NO:5762-40-3
    4. Molecular Formula: C8H15NO4
    5. Molecular Weight: 189.209
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5762-40-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 256.1°Cat760mmHg
    3. Flash Point: 100.9°C
    4. Appearance: /
    5. Density: 1.067g/cm3
    6. Vapor Pressure: 0.0157mmHg at 25°C
    7. Refractive Index: 1.441
    8. Storage Temp.: N/A
    9. Solubility: EtOH, EtOAc, CH2Cl2, CHCl3, DMSO, MeOH
    10. CAS DataBase Reference: 2,4-Dimethyl-4-nitrovaleric acid methyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,4-Dimethyl-4-nitrovaleric acid methyl ester(5762-40-3)
    12. EPA Substance Registry System: 2,4-Dimethyl-4-nitrovaleric acid methyl ester(5762-40-3)
  • 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: 5762-40-3(Hazardous Substances Data)

5762-40-3 Usage

Uses

Used in Pharmaceutical Industry:
2,4-Dimethyl-4-nitrovaleric acid methyl ester is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique nitroalkanes functional group allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 2,4-Dimethyl-4-nitrovaleric acid methyl ester serves as an essential building block for the production of various agrochemicals. Its properties contribute to the creation of effective compounds for crop protection and pest management.
Used in Chemical Synthesis:
2,4-Dimethyl-4-nitrovaleric acid methyl ester is utilized as a versatile intermediate in the synthesis of a wide range of chemicals. Its reactivity and functional group make it a valuable component in the production of specialty chemicals and other organic compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 5762-40-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,7,6 and 2 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 5762-40:
(6*5)+(5*7)+(4*6)+(3*2)+(2*4)+(1*0)=103
103 % 10 = 3
So 5762-40-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H15NO4/c1-6(7(10)13-4)5-8(2,3)9(11)12/h6H,5H2,1-4H3

5762-40-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2,4-dimethyl-4-nitropentanoate

1.2 Other means of identification

Product number -
Other names 2,4-Dimethyl-4-nitro-valeriansaeure-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:5762-40-3 SDS

5762-40-3Relevant articles and documents

PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

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Paragraph 0483-0486, (2021/08/13)

The disclosure provides processes for preparing a compound of Formula (I).

SOLID FORMS OF MODULATORS OF CFTR

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Paragraph 00242, (2020/10/27)

Crystalline and amorphous forms of a potassium salt of Compound (I): are disclosed. Pharmaceutical compositions comprising the same, methods of treating cystic fibrosis using the same, and methods for making the same are also disclosed.

METHODS OF TREATMENT FOR CYSTIC FIBROSIS

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Paragraph 00194-00195, (2020/12/11)

This application describes methods of treating cystic fibrosis comprising administering Compound I:, a pharmaceutically acceptable salt thereof, or a pharmaceutical composition comprising any of the foregoing.

COMPOSITIONS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS

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Paragraph 00291; 00292; 00293; 00294, (2019/01/22)

Compositions comprising Compound I of the formula (I) and methods of treating cystic fibrosis comprising administering Compound I. Compositions comprising a pharmaceutically acceptable salt of Compound I and methods of treating cystic fibrosis comprising administering a pharmaceutically acceptable salt of Compound I.

METHODS OF TREATMENT FOR CYSTIC FIBROSIS

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Paragraph 00146-00147, (2019/02/06)

Compound I of the formula (I) and/or pharmaceutically acceptable salt(s) of Compound I comprised in a pharmaceutical composition and methods of using the same to treat cystic fibrosis.

CRYSTALLINE FORMS OF MODULATORS OF CFTR

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Paragraph 00403, (2019/10/19)

Crystalline Forms of Compound (I); crystalline Forms of Compound (II) and crystalline forms of pharmaceutically acceptable salts of any of the foregoing are disclosed. Pharmaceutical compositions comprising the same, methods of treating cystic fibrosis using the same, and methods for making the same are also disclosed.

PHARMACEUTICAL COMPOSITIONS FOR TREATING CYSTIC FIBROSIS

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Paragraph 0515-0517, (2019/08/20)

A pharmaceutical composition comprising Compound I: Methods of treating cystic fibrosis comprising administering one or more of such pharmaceutical compositions to a patient.

MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

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Paragraph 00158, (2019/10/29)

This disclosure provides modulators of Cystic Fibrosis Transmembrane Conductance Regulator (CFTR), pharmaceutical compositions containing at least one such modulator, methods of treatment of cystic fibrosis using such modulators and pharmaceutical composi

MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR

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Paragraph 00158, (2019/11/04)

This disclosure provides modulators of Cystic Fibrosis Transmembrane Conductance Regulator (CFTR), pharmaceutical compositions containing at least one such modulator, methods of treatment of cystic fibrosis by administering such modulators and pharmaceutical compositions, and processes for making such modulators.

CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS

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Paragraph 0459; 0460; 0461, (2019/05/07)

Crystalline Forms of Compound I: and pharmaceutically acceptable salts thereofare disclosed. Pharmaceutical compositions comprising the same, methods of treating cystic fibrosis using the same, and methods for making the same are also disclosed.

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