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CAS

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119673-47-1

2,5-DIMETHYL-1-O-TOLYL-1H-PYRROLE-3-CARBALDEHYDE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 119673-47-1 Structure

  • Basic information

    1. Product Name: 2,5-DIMETHYL-1-O-TOLYL-1H-PYRROLE-3-CARBALDEHYDE
    2. Synonyms: 2,5-Dimethyl-1-o-tolyl-1H-pyrrole-3-carbaldehyde; 2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrole-3-carbaldehyde
    3. CAS NO:119673-47-1
    4. Molecular Formula: C14H15NO
    5. Molecular Weight: 213.27
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 119673-47-1.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 359.2°Cat760mmHg
    3. Flash Point: 171°C
    4. Appearance: /
    5. Density: 1.03g/cm3
    6. Vapor Pressure: 2.42E-05mmHg at 25°C
    7. Refractive Index: 1.554
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 2,5-DIMETHYL-1-O-TOLYL-1H-PYRROLE-3-CARBALDEHYDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,5-DIMETHYL-1-O-TOLYL-1H-PYRROLE-3-CARBALDEHYDE(119673-47-1)
    12. EPA Substance Registry System: 2,5-DIMETHYL-1-O-TOLYL-1H-PYRROLE-3-CARBALDEHYDE(119673-47-1)

  • 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: 119673-47-1(Hazardous Substances Data)

119673-47-1 Usage

Structure

A derivative of pyrrole with a carbonyl group (aldehyde group)

Appearance

Yellowish-brown powder at room temperature

Usage

Intermediate in organic synthesis, used in pharmaceutical and chemical industries as a building block for the production of various drugs and organic compounds

Other uses

Often used in perfumes and fragrances due to its strong odor

Check Digit Verification of cas no

The CAS Registry Mumber 119673-47-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,9,6,7 and 3 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 119673-47:
(8*1)+(7*1)+(6*9)+(5*6)+(4*7)+(3*3)+(2*4)+(1*7)=151
151 % 10 = 1
So 119673-47-1 is a valid CAS Registry Number.
InChI:InChI=1/C14H15NO/c1-10-6-4-5-7-14(10)15-11(2)8-13(9-16)12(15)3/h4-9H,1-3H3

119673-47-1Downstream Products

119673-47-1Relevant articles and documents

A New FXR Ligand Chemotype with Agonist/Antagonist Switch

Helmst?dter, Moritz,Vietor, Jan,Sommer, Jana,Schierle, Simone,Willems, Sabine,Kaiser, Astrid,Schmidt, Jurema,Merk, Daniel

, p. 267 - 274 (2021/02/20)

Therapeutic modulation of the bile acid-sensing transcription factor farnesoid X receptor (FXR) is an appealing strategy to counteract hepatic and metabolic diseases. Despite the availability of several highly potent FXR agonists structural diversity of FXR modulators is limited, and new ligand scaffolds are needed. Here we report structure-activity relationship elucidation of a new FXR modulator chemotype whose activity can be tuned between agonism and antagonism by two minor structural modifications. Starting from a weak FXR/PPAR agonist, we have developed selective FXR activators and antagonists with nanomolar to low-micromolar potencies and binding affinities. The new FXR ligand chemotype modulates the FXR activity in the native cellular setting, is endowed with favorable metabolic stability, and lacks cytotoxicity. It valuably expands the collection of FXR modulators as a new scaffold for FXR-targeted drug discovery.

Discovery, synthesis and SAR analysis of novel selective small molecule S1P4-R agonists based on a (2Z,5Z)-5-((pyrrol-3-yl)methylene)-3- alkyl-2-(alkylimino)thiazolidin-4-one chemotype

Urbano, Mariangela,Guerrero, Miguel,Velaparthi, Subash,Crisp, Melissa,Chase, Peter,Hodder, Peter,Schaeffer, Marie-Therese,Brown, Steven,Rosen, Hugh,Roberts, Edward

, p. 6739 - 6745 (2011/12/05)

High affinity and selective S1P4 receptor (S1P4-R) small molecule agonists may be important proof-of-principle tools used to clarify the receptor biological function and effects to assess the therapeutic potential of the S1P4-R in diverse disease areas including treatment of viral infections and thrombocytopenia. A high-throughput screening campaign of the Molecular Libraries-Small Molecule Repository was carried out by our laboratories and identified (2Z,5Z)-5-((1-(2-fluorophenyl)-2,5-dimethyl-1H- pyrrol-3-yl)methylene)-3-methyl-2-(methylimino) thiazolidin-4-one as a promising S1P4-R agonist hit distinct from literature S1P4-R modulators. Rational chemical modifications of the hit allowed the identification of a promising lead molecule with low nanomolar S1P4-R agonist activity and exquisite selectivity over the other S1P 1-3,5-Rs family members. The lead molecule herein disclosed constitutes a valuable pharmacological tool to explore the effects of the S1P4-R signaling cascade and elucidate the molecular basis of the receptor function.

Sterically Hindered N-Aryl Pyrroles: Chromatographic Separation of Enantiomers and Barriers to Racemization

Vorkapic-Furac, Jasna,Mintas, Mladen,Burgemeister, Thomas,Mannschreck, Albrecht

, p. 713 - 718 (2007/10/02)

The novel N-aryl-2,5-dimethylpyrrole-3-carbaldehydes (1)-(7) have been synthesized by condensation of hexane-2,5-dione with the appropriate aniline and subsequent Vilsmeier-Haack formylation of the pyrrole ring.Diastereoisomeric association complexes of t

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