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700854-99-5

1-(3-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE is a chemical compound with a molecular formula C14H15NO2. It is a pyrrole derivative featuring a methoxy group and two methyl groups attached to the aromatic ring. 1-(3-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE is a carbonyl derivative with an aldehyde functional group, making it a versatile building block in the synthesis of various organic compounds and pharmaceuticals. Its potential applications span across medicinal chemistry, material development, and the creation of new chemical processes. However, it is crucial to handle this compound with care due to its potential hazardous properties.

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  • 700854-99-5 Structure

  • Basic information

    1. Product Name: 1-(3-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
    2. Synonyms: TIMTEC-BB SBB011598;AKOS BB-3551;1-(3-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
    3. CAS NO:700854-99-5
    4. Molecular Formula: C14H15NO2
    5. Molecular Weight: 229.27
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 700854-99-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-(3-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-(3-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE(700854-99-5)
    11. EPA Substance Registry System: 1-(3-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE(700854-99-5)

  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 700854-99-5(Hazardous Substances Data)

700854-99-5 Usage

Uses

Used in Pharmaceutical Industry:
1-(3-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE is used as a building block for the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Organic Synthesis:
In the field of organic chemistry, 1-(3-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE is used as a key intermediate for the creation of a wide range of organic compounds. Its aldehyde functional group enables further reactions and modifications, contributing to the diversity of synthesized products.
Used in Material Development:
1-(3-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE may also be utilized in the development of new materials, thanks to its structural properties and reactivity. Its potential applications in this field could include the creation of novel polymers, dyes, or other advanced materials with specific properties.
Used in Chemical Process Development:
1-(3-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE can be employed in the development of new chemical processes, where its unique reactivity and structural features can be harnessed to improve existing processes or create new ones with enhanced efficiency and selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 700854-99-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,0,0,8,5 and 4 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 700854-99:
(8*7)+(7*0)+(6*0)+(5*8)+(4*5)+(3*4)+(2*9)+(1*9)=155
155 % 10 = 5
So 700854-99-5 is a valid CAS Registry Number.

700854-99-5Downstream Products

700854-99-5Relevant articles and documents

Design and development of pyrrole carbaldehyde: An effective pharmacophore for enoyl-ACP reductase

Joshi, Shrinivas D.,Kumar, Devendra,More, Uttam A.,Yang, Kap Seung,Aminabhavi, Tejraj M.

, p. 672 - 689 (2016/03/08)

Enoyl-ACP reductase is the key enzyme involved in FAS-II synthesis of mycolic acid in bacterial cell wall and is a promising target for discovering new chemical entity. The designed pharmacophores are the possible better tools to combat mutation in enoyl-ACP enzyme, which leads to a decrease in volume of triclosan binding site. Compound 3a showed H-bonding interactions similar to that of triclosan with enoyl-ACP enzyme and with a better docking score (C score 8.81), while the compound 3f showed additional interaction with MET98.H amino acid residue. The 3D-QSAR computations also support the docking study to develop novel pyrrole-based derivatives. Graphical abstract: Molecular docking 3D-QSAR studies and synthesis of active analogs of pyrrole carbaldehyde as better receptor fit pharmacophore for enoyl-ACP reductase along with in vitro antitubercular activity. (Figure Presented).

Discovery and structure-activity relationships of pyrrolone antimalarials

Murugesan, Dinakaran,Mital, Alka,Kaiser, Marcel,Shackleford, David M.,Morizzi, Julia,Katneni, Kasiram,Campbell, Michael,Hudson, Alan,Charman, Susan A.,Yeates, Clive,Gilbert, Ian H.

, p. 2975 - 2990 (2013/05/23)

In the pursuit of new antimalarial leads, a phenotypic screening of various commercially sourced compound libraries was undertaken by the World Health Organisation Programme for Research and Training in Tropical Diseases (WHO-TDR). We report here the detailed characterization of one of the hits from this process, TDR32750 (8a), which showed potent activity against Plasmodium falciparum K1 (EC50 ～ 9 nM), good selectivity (>2000-fold) compared to a mammalian cell line (L6), and significant activity against a rodent model of malaria when administered intraperitoneally. Structure-activity relationship studies have indicated ways in which the molecule could be optimized. This compound represents an exciting start point for a drug discovery program for the development of a novel antimalarial.

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