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Methyl 3-Bromoindole-5-carboxylate, also known as 3-bromo-5-carbomethoxyindole, is a chemical compound with the molecular formula C10H8BrNO2. It is a derivative of indole, a heterocyclic aromatic organic compound. Methyl 3-Bromoindole-5-carboxylate is characterized by its white to off-white crystalline solid form at room temperature and is typically handled and stored under controlled conditions in a laboratory setting. Its structural properties and reactivity make it a valuable building block in organic synthesis and pharmaceutical research.

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  • 916179-88-9 Structure
  • Basic information

    1. Product Name: Methyl 3-Bromoindole-5-carboxylate
    2. Synonyms: Methyl 3-Bromoindole-5-carboxylate;3-Bromoindole-5-carboxylic acid methyl ester;Methyl 3-broMo-1H-indole-5-carboxylate
    3. CAS NO:916179-88-9
    4. Molecular Formula: C10H8BrNO2
    5. Molecular Weight: 254.08002
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 916179-88-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.629
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Methyl 3-Bromoindole-5-carboxylate(CAS DataBase Reference)
    10. NIST Chemistry Reference: Methyl 3-Bromoindole-5-carboxylate(916179-88-9)
    11. EPA Substance Registry System: Methyl 3-Bromoindole-5-carboxylate(916179-88-9)
  • 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: 916179-88-9(Hazardous Substances Data)

916179-88-9 Usage

Uses

Used in Organic Synthesis:
Methyl 3-Bromoindole-5-carboxylate is used as a building block in organic synthesis for the creation of other compounds. Its unique structural properties and reactivity allow for the development of a wide range of chemical entities.
Used in Pharmaceutical Research:
In the pharmaceutical industry, Methyl 3-Bromoindole-5-carboxylate is utilized as a key intermediate in the synthesis of various drug candidates. Its potential applications in medicinal chemistry and drug development are attributed to its ability to be modified and incorporated into novel therapeutic agents.
Used in Medicinal Chemistry:
Methyl 3-Bromoindole-5-carboxylate is employed in medicinal chemistry as a structural component of potential drug molecules. Its reactivity and compatibility with other chemical groups make it a versatile component in the design and synthesis of new pharmaceuticals.
Used in Drug Development:
In the field of drug development, Methyl 3-Bromoindole-5-carboxylate serves as a precursor in the synthesis of compounds with potential therapeutic applications. Its role in the development of new drugs is crucial, as it can be modified to enhance the pharmacological properties of the final product.

Check Digit Verification of cas no

The CAS Registry Mumber 916179-88-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,1,6,1,7 and 9 respectively; the second part has 2 digits, 8 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 916179-88:
(8*9)+(7*1)+(6*6)+(5*1)+(4*7)+(3*9)+(2*8)+(1*8)=199
199 % 10 = 9
So 916179-88-9 is a valid CAS Registry Number.

916179-88-9Relevant articles and documents

A Palladium(II)-Catalyzed C-H Activation Cascade Sequence for Polyheterocycle Formation

Cooper, Stephen P.,Booker-Milburn, Kevin I.

supporting information, p. 6496 - 6500 (2015/06/02)

Polyheterocycles are found in many natural products and are useful moieties in functional materials and drug design. As part of a program towards the synthesis of Stemona alkaloids, a novel palladium(II)-catalyzed C-H activation strategy for the construction of such systems has been developed. Starting from simple 1,3-dienyl-substituted heterocycles, a large range of polycyclic systems containing pyrrole, indole, furan and thiophene moieties can be synthesized in a single step. Don't overdo it: A palladium(II)-catalyzed C-H activation cascade sequence for the synthesis of polyheterocycles is reported. Aromatization of the initially formed dihydro species occurred with a quinone oxidant. In some cases the use of one equivalent of the oxidant enabled isolation of the dihydro species as a single isomer (see scheme; X=NMe, O, S).

INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS

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Page/Page column 67, (2009/05/30)

There is provided according to the invention novel compounds of Formula (I) or pharmaceutically acceptable salts or solvates thereof: (I) useful as PPAR activators.

OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS

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Page/Page column 31, (2009/07/17)

Oxadiazole derivatives of formula (I) where ring A is a bicyclic or tricyclic system. Claimed compounds are active on nicotinic acetylcholine receptors (nAChRs), and are useful to treat neurological, psychiatric, and gastrointestinal disorders, as well as sepsis and obesity.

TREATMENT OF PROTEIN FOLDING DISORDERS

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Page/Page column 95, (2010/11/25)

In certain embodiments, the invention is directed to a method for treating a protein folding disorder such as Alzheimer's disease, dementia, Parkinson's disease, Huntington's disease and prion-based spongiform encephalopathy. The method comprises the administration to a subject of a compound of the formula (I) wherein A and B are independently a mono- or bicyclic aromatic group or heteroaromatic cyclic group. In preferred embodiments, the compounds are bis-indole compounds.

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