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4-(pyrrolidin-1-ylMethyl)phenylboronic acid is a boronic acid derivative with the molecular formula C12H17BNO2. It features a phenyl ring and a pyrrolidine group, making it a versatile building block in organic synthesis and a valuable chemical in the fields of medicinal chemistry, pharmaceutical development, and chemical research.

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  • 1036991-20-4 Structure
  • Basic information

    1. Product Name: 4-(pyrrolidin-1-ylMethyl)phenylboronic acid
    2. Synonyms: 4-(pyrrolidin-1-ylMethyl)phenylboronic acid;4-(1-Pyrrolidylmethyl)phenylboronic Acid
    3. CAS NO:1036991-20-4
    4. Molecular Formula: C11H16BNO2
    5. Molecular Weight: 205.06124
    6. EINECS: N/A
    7. Product Categories: Boronate Ester;Boronic Acid;Potassium Trifluoroborate
    8. Mol File: 1036991-20-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 353.0±44.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.16±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 8.43±0.16(Predicted)
    10. CAS DataBase Reference: 4-(pyrrolidin-1-ylMethyl)phenylboronic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(pyrrolidin-1-ylMethyl)phenylboronic acid(1036991-20-4)
    12. EPA Substance Registry System: 4-(pyrrolidin-1-ylMethyl)phenylboronic acid(1036991-20-4)
  • 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: 1036991-20-4(Hazardous Substances Data)

1036991-20-4 Usage

Uses

Used in Medicinal Chemistry:
4-(pyrrolidin-1-ylMethyl)phenylboronic acid is used as a key intermediate for the synthesis of various pharmaceuticals and agrochemicals, such as antiviral and anticancer agents. Its unique structural properties and versatile reactivity contribute to the development of novel therapeutic agents.
Used in Organic Synthesis:
In the field of organic chemistry, 4-(pyrrolidin-1-ylMethyl)phenylboronic acid is employed as a building block for the synthesis of complex molecules. Its reactivity allows for the formation of new chemical entities with potential applications in various industries.
Used in Cross-Coupling Reactions:
4-(pyrrolidin-1-ylMethyl)phenylboronic acid is utilized as a tool for cross-coupling reactions in organic chemistry. Its boronic acid functionality enables the formation of carbon-carbon and carbon-heteroatom bonds, facilitating the synthesis of diverse molecular architectures.
Used in Drug Discovery:
4-(pyrrolidin-1-ylMethyl)phenylboronic acid plays a crucial role in drug discovery, as its incorporation into molecular structures can lead to the development of new therapeutic agents with improved pharmacological properties and selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 1036991-20-4 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,3,6,9,9 and 1 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1036991-20:
(9*1)+(8*0)+(7*3)+(6*6)+(5*9)+(4*9)+(3*1)+(2*2)+(1*0)=154
154 % 10 = 4
So 1036991-20-4 is a valid CAS Registry Number.

1036991-20-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name [4-(pyrrolidin-1-ylmethyl)phenyl]boronic acid

1.2 Other means of identification

Product number -
Other names F2158-0773

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1036991-20-4 SDS

1036991-20-4Relevant articles and documents

Novel anticancer compound and usage thereof

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Paragraph 0098; 0099; 0100; 0101, (2019/06/27)

The invention provides a novel anticancer compound. The novel anticancer compound is a compound shown in chemical formula 1 in the description or pharmaceutically acceptable salt of the compound, andthe compound and the salt are active ingredients of a pharmaceutical composition for inhibiting the activity of hepatocyte growth factor receptor (c-Met) tyrosine kinase and pharmaceutical compositionfor preventing or curing excessive or abnormal proliferative diseases. The compound effectively inhibits the activity of the hepatocyte growth factor receptor tyrosine kinase, thereby being suitablefor treating the diseases with the characteristics of excessive or abnormal cell proliferation.

AMPK INHIBITORS

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Page/Page column 50, (2019/06/17)

The 5'-AMP-activated protein kinase AMPK functions as a master switch to maintain cellular and whole-body energy homeostasis and abnormal activity profiles of AMPK may cause pathological disorders. The present invention relates to a series of compounds (I

PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS

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Page/Page column 87, (2015/06/25)

New pyrazolopyridmiin-2-yl derivatives are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Janus Kinases (JAK).

Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof

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Page/Page column 44, (2010/11/28)

The present invention relates to pyrazolo[1,5-a]pyrimidine derivatives, compositions comprising an effective amount of a pyrazolo[1,5-a]pyrimidine derivative and methods for treating or preventing cancer, comprising administering to a subject in need thereof an effective amount of a pyrazolo[1,5-a]pyrimidine derivative.

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