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CAS

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461648-39-5

1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenylis a complex organic compound characterized by its bicyclic structure and phenyl groups. It is a versatile reagent with potential applications in various industries due to its unique chemical properties.

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  • 461648-39-5 Structure

  • Basic information

    1. Product Name: 1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-
    2. Synonyms: 1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-;(1-Azabicyclo[2.2.2]oct-4-yl)(diphenyl)methanol
    3. CAS NO:461648-39-5
    4. Molecular Formula: C20H23NO
    5. Molecular Weight: 293.40272
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 461648-39-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 440.3±25.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.18±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Refrigerator
    8. Solubility: Chloroform (Slightly), Methanol (Slightly)
    9. PKA: 13.34±0.29(Predicted)
    10. CAS DataBase Reference: 1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-(461648-39-5)
    12. EPA Substance Registry System: 1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-(461648-39-5)

  • 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: 461648-39-5(Hazardous Substances Data)

461648-39-5 Usage

Uses

Used in Pharmaceutical Industry:
1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenylis used as a reagent for the preparation of Umeclidinium Bromide-d5 (U710002), which is considered a potentially long-acting antimuscarinic agent. 1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenylplays a crucial role in the development of medications targeting conditions such as chronic obstructive pulmonary disease (COPD) and other respiratory disorders by providing an effective treatment option through its antimuscarinic properties.

Check Digit Verification of cas no

The CAS Registry Mumber 461648-39-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,6,1,6,4 and 8 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 461648-39:
(8*4)+(7*6)+(6*1)+(5*6)+(4*4)+(3*8)+(2*3)+(1*9)=165
165 % 10 = 5
So 461648-39-5 is a valid CAS Registry Number.

461648-39-5Relevant articles and documents

Preparation method of umeclidinium bromide intermediate

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Paragraph 0047; 0048, (2021/04/14)

The invention relates to a preparation method of an umeclidinium bromide intermediate. The preparation method comprises the following steps: in a solvent, carrying out cyclization reaction on a compound as shown in a formula I, and conducting salifying wi

Umerammonium bromide intermediate and preparation method thereof

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, (2021/03/13)

The invention relates to an umerammonium bromide intermediate and a preparation method thereof. The preparation method comprises the following steps: performing esterification, condensation, substitution, cyclization, addition and the like on isopiperidine acid to obtain a target compound. Compared with the existing preparation method, the method has the advantages that the yield of the compound shown as the formula VII is high, the content of the impurity 1 is remarkably reduced, and a process guarantee is provided for industrially preparing high-purity umequat bromide, and thus the medication safety of medicines is guaranteed.

1 - Azabicyclo [2, 2, 2] octan -4 -phenyl ketone compound as well as preparation method and application thereof

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, (2021/03/17)

The invention provides 1-bicyclic aza[2,2,2]octyl-4-phenyl ketone compound as well as a preparation method and application thereof. Proofed by detection, the structure of the 1-bicyclic aza[2,2,2]octyl-4-phenyl ketone compound is a compound 1. The compound can be used for preparing an umeclidinium bromide medicine for treating COPD (chronic obstructive pulmonary disease), namely that 1-(2-chloroethyl ethyl)-4-benzoyl piperidine is prepared by 4-benzoyl piperidine, and then is subject to ring closing to obtain the compound 1; the compound 1 is further added with a phenyl nucleophilic reagent, and is salted, so as to obtain the umeclidinium bromide. The preparation method has the advantages that the cost is low, the operation is simple and convenient, the preparation method is suitable for industrial production, and the application value is larger. (The formula is shown in the description.).

PROCESS FOR THE PREPARATION OF A NOVEL UMECLIDINIUM SYNTHESIS INTERMEDIATE

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, (2019/01/05)

The present invention relates to a process for the preparation of a novel and versatile synthesis intermediate and its use in the preparation of umeclidinium. The invention also relates to some reference standards allowing to detect impurity traces recurring in the preparation of umeclidinium and a process for their preparation.

Novel method for synthesizing umeclidinium bromide

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, (2018/10/19)

The invention discloses a method for preparing an umeclidinium bromide intermediate compound as shown in a formula 3, and further discloses a synthesizing method of umeclidinium bromide. The synthesizing method effectively avoids unstable phenyl lithium with high price and toxicity, corresponding quinuclidine building reaction steps are omitted, reaction steps are greatly decreased, and reaction efficiency and yield are improved. The synthesizing method is shorter in reaction step, mild in operation condition, high in safety, low in environmental pollution and higher in yield, and a good basisis provided for industrial amplification of the umeclidinium bromide.

A PROCESS FOR THE PREPARATION OF UMECLIDINIUM BROMIDE AND INTERMEDIATES THEREOF

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Page/Page column 8; 9, (2018/09/28)

Provided herein is a process for the preparation of umeclidinium bromide and intermediates thereof, wherein pure form of umeclidinium bromide is achieved by a two step process under mild conditions.

Convenient new synthesis of umeclidinium bromide

Gu, Jianhui,Zhang, Jie,Wang, Xuan,Wang, Guoping

, p. 995 - 1000 (2018/05/23)

Umeclidinium bromide, a drug used for chronic obstructive pulmonary disease, is synthesized through a new intermediate of phenyl(quinuclidin-4-yl)methanone. This novel method with simple operation flow and cheap reagents, makes it suitable for scale up. The overall four-step process provides umeclidinium bromide in 29% yield and the purity up to 99.83%. The X-ray crystal structure of the drug molecule was first reported.

PROCESS FOR THE PREPARATION OF UMECLIDINIUM BROMIDE

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, (2018/05/27)

The present invention discloses processes comprising a) reacting ethyl isonipecotate with 1 -bromo-2- chloroethane in the presence of an organic base in a solvent to form ethyl 1 -(2-chloroethyl)piperidine- 4-carboxylate (II) or a salt thereof. Process st

A More Sustainable Process for Preparation of the Muscarinic Acetylcholine Antagonist Umeclidinium Bromide

Espadinha, Margarida,Louren?o, Nuno M. T.,Sobral, Luis,Antunes, Rafael,Santos, Maria M. M.

, p. 2053 - 2056 (2018/09/20)

A more sustainable process for the synthesis of the long-acting muscarinic acetylcholine antagonist umeclidinium bromide is described. Specifically, we report the synthesis of ethyl 1-(2-chloroethyl)-4-piperidinecarboxylate, a key intermediate in the prep

Quinuclidine derivative, method for preparing same and application of quinuclidine derivative

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, (2017/10/13)

The invention relates to a quinuclidine derivative, a pharmaceutically acceptable salt, pro-drug and solvent compound of the quinuclidine derivative, a method for preparing the quinuclidine derivative, a drug composition with the quinuclidine derivative and the pharmaceutically acceptable salt, pro-drug and solvent compound and pharmaceutical application of the quinuclidine derivative. The quinuclidine derivative, the pharmaceutically acceptable salt, pro-drug and solvent compound, the method, the drug composition and the pharmaceutical application have the advantage that the compound is excellent in M3 receptor antagonist activity and accordingly can be used as a novel efficient drug for chronic obstructive pulmonary diseases.

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