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Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid is a white solid acrylate derivative with the chemical formula C18H24ClNO4. It features a Boc (tert-butyloxycarbonyl) protecting group, a chlorine-substituted phenyl group, and an isopropylamino functional group. Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid is valued for its versatility in organic synthesis and its potential in the development of pharmaceuticals and new materials.

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  • 1489004-27-4 Structure
  • Basic information

    1. Product Name: Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid
    2. Synonyms: Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid;(E)-3-((tert-Butoxycarbonyl)(isopropyl)amino)-2-(4-chlorophenyl)acrylic acid
    3. CAS NO:1489004-27-4
    4. Molecular Formula: C17H22ClNO4
    5. Molecular Weight: 339.81388
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1489004-27-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 437.0±45.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.198±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 6.56±0.70(Predicted)
    10. Water Solubility: 18.3mg/L at 20℃
    11. CAS DataBase Reference: Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid(1489004-27-4)
    13. EPA Substance Registry System: Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid(1489004-27-4)
  • 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: 1489004-27-4(Hazardous Substances Data)

1489004-27-4 Usage

Uses

Used in Pharmaceutical Synthesis:
Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid is used as a key intermediate in the synthesis of various pharmaceuticals. Its functional groups and reactivity make it a valuable building block for creating complex organic molecules with potential therapeutic applications.
Used in Bioactive Compound Preparation:
Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid is utilized in the preparation of bioactive compounds, contributing to the development of new drugs and therapeutic agents. Its unique structure and functional groups enable it to participate in a range of chemical reactions, facilitating the synthesis of diverse bioactive molecules.
Used in Chemical Research:
Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid is employed in chemical research to explore its properties and reactions. Its ability to undergo various chemical transformations makes it an interesting subject for studies aimed at understanding reaction mechanisms and developing new synthetic methodologies.
Used in Material Development:
Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid is also used in the development of new materials, where its functional groups and reactivity can contribute to the creation of innovative materials with unique properties and applications across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 1489004-27-4 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,4,8,9,0,0 and 4 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1489004-27:
(9*1)+(8*4)+(7*8)+(6*9)+(5*0)+(4*0)+(3*4)+(2*2)+(1*7)=174
174 % 10 = 4
So 1489004-27-4 is a valid CAS Registry Number.

1489004-27-4Relevant articles and documents

PROCESSES FOR THE PREPARATION OF PYRIMIDINYLCYCLOPENTANE COMPOUNDS

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, (2015/06/03)

The present invention relates to a process for the preparation of a compound of formula (I), wherein R1 is as defined herein, which is useful as an intermediate in the preparation of active pharmaceutical compounds.

An efficient catalytic asymmetric synthesis of a β2-amino acid on multikilogram scale

Remarchuk, Travis,Babu, Srinivasan,Stults, Jeffrey,Zanotti-Gerosa, Antonio,Roseblade, Stephen,Yang, Shaohui,Huang, Ping,Sha, Chunbo,Wang, Youchu

, p. 135 - 141 (2014/05/20)

We describe herein a scalable catalytic asymmetric hydrogenation process for the multikilogram-scale production of a β 2-amino acid. A short and efficient synthesis of the starting unsaturated N-Boc-protected β 2-enamide was developed followed by extensive catalysis screening and optimization studies that identified a simple Ru-BINAP catalyst system to directly afford the (S) product in high enantiomeric excess and yield. The final process enabled the multikilogram production in >99% ee, to be used as a key component for one of our clinical candidates.

PROCESS FOR MAKING AMINO ACID COMPOUNDS

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, (2013/12/03)

The invention provides new processes for making and purifying amino acid compounds, which are useful in the preparation of AKT inhibitors used in the treatment of diseases such as cancer, including the compound (S)-2-(4-chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one.

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