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2-Methylpyrimidine-5-boronic Acid Pinacol Ester is a specialty chemical compound that is primarily used in scientific research and reactions. It is characterized by a boronic acid pinacol ester functional group and a 2-methylpyrimidine moiety. 2-MethylpyriMidine-5-boronic Acid Pinacol Ester has the ability to react with certain compounds to form boronates, which makes it versatile for various couplings, additions, or substitutions in organic chemistry. Its properties also make it suitable for use in medicinal and pharmaceutical chemistry or research, particularly in the synthesis of biologically active molecules or compounds. However, it is essential to seek and review information on its safety and handling before usage.

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  • 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

    Cas No: 1052686-67-5

  • USD $ 1.9-2.9 / Gram

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  • 1052686-67-5 Structure
  • Basic information

    1. Product Name: 2-MethylpyriMidine-5-boronic Acid Pinacol Ester
    2. Synonyms: 2-MethylpyriMidine-5-boronic Acid Pinacol Ester;1H-BenziMidazole, 2-Methyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-;PyriMidine, 2-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-;2-MethylpyriMidin-5-ylboronic acid pinacol ester;2-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyriMidine
    3. CAS NO:1052686-67-5
    4. Molecular Formula: C11H17BN2O2
    5. Molecular Weight: 258.12386
    6. EINECS: 1592732-453-0
    7. Product Categories: N/A
    8. Mol File: 1052686-67-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 310.6±15.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.06±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 1.63±0.22(Predicted)
    10. CAS DataBase Reference: 2-MethylpyriMidine-5-boronic Acid Pinacol Ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-MethylpyriMidine-5-boronic Acid Pinacol Ester(1052686-67-5)
    12. EPA Substance Registry System: 2-MethylpyriMidine-5-boronic Acid Pinacol Ester(1052686-67-5)
  • 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: 1052686-67-5(Hazardous Substances Data)

1052686-67-5 Usage

Uses

Used in Organic Chemistry:
2-Methylpyrimidine-5-boronic Acid Pinacol Ester is used as a reagent for facilitating various couplings, additions, or substitutions in organic chemistry. Its boronic ester property allows it to react with certain compounds to form boronates, which can be useful in the synthesis of complex organic molecules.
Used in Medicinal and Pharmaceutical Chemistry:
2-Methylpyrimidine-5-boronic Acid Pinacol Ester is used as a building block or intermediate in the synthesis of biologically active molecules or compounds. Its unique structure and reactivity can contribute to the development of new drugs or therapeutic agents.
Used in Scientific Research:
2-Methylpyrimidine-5-boronic Acid Pinacol Ester is used as a research tool in various scientific studies. Its properties and reactivity can provide insights into the mechanisms of chemical reactions and help in understanding the behavior of different compounds in various experimental conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 1052686-67-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,5,2,6,8 and 6 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1052686-67:
(9*1)+(8*0)+(7*5)+(6*2)+(5*6)+(4*8)+(3*6)+(2*6)+(1*7)=155
155 % 10 = 5
So 1052686-67-5 is a valid CAS Registry Number.

1052686-67-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

1.2 Other means of identification

Product number -
Other names 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

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:1052686-67-5 SDS

1052686-67-5Relevant articles and documents

PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF IN TRKA-RELATED DISEASES

-

Paragraph 0188; 0201; 0202, (2021/05/21)

The present invention relates to a class of TrkA inhibitors and an application thereof in the preparation of a drug for the treatment of diseases associated with TrkA. The present invention specifically discloses compounds represented by formula (I) and f

MORPHIC FORMS OF COMPLEMENT FACTOR D INHIBITORS

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Page/Page column 77; 78-79; 90, (2020/03/29)

This invention provides stable, highly crystalline forms of Complement factor D inhibitors Compound 1 and Compound 2 for advantageous therapeutic pharmaceutical efficacy and dosage form stability.

MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS

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Page/Page column 453; 538; 540, (2020/03/29)

Compounds, methods of use, and processes for making inhibitors of complement factor D or a pharmaceutically acceptable salt or composition thereof are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade. The inhibitors of factor D described herein reduce excessive activation of complement.

MORPHIC FORMS OF COMPLEMENT FACTOR D INHIBITORS

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Page/Page column 121-122, (2020/05/12)

This invention provides stable, highly crystalline forms of Complement Factor D inhibitor Compound 3 for therapeutic applications.

ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS

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Page/Page column 660; 661; 662, (2018/09/21)

Complement Factor D inhibitors, pharmaceutical compositions, and uses thereof, as well as processes for their manufacture are provided. The compounds provided include Formula I, Formula II, Formula III, Formula IV, and Formula V, or a pharmaceutically acceptable salt, prodrug, isotopic analog, N-oxide, or isolated isomer thereof, optionally in a pharmaceutically acceptable composition. The inhibitors described herein target Factor D and inhibit or regulate the complement cascade.

PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH ZINC BINDING MOIETY

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Paragraph 0296; 0321, (2016/10/07)

PROBLEM TO BE SOLVED: To provide phosphoinositide 3-kinase inhibitors with a zinc binding moiety. SOLUTION: There is provided a compound represented by formula (I) in the figure. (X is S, O or the like; Y is CH, N or the like; G1 is optionally substituted N or the like; R1 and R2 are each independently H or the like; C is a substituted heterocycle or the like; B is a linear alkyl or the like; Ra and Rb together with the nitrogen atom coupled to them are morpholino or the like; G2 is an indazole ring or the like; q, r and s are independently from 0 to 1, provided that at least one of them is 1; t is from 0 to 1; n is from 0 to 4; and p is from 0 to 2.) COPYRIGHT: (C)2016,JPOandINPIT

Iridium-catalyzed C-H borylation of heteroarenes: Scope, regioselectivity, application to late-stage functionalization, and mechanism

Larsen, Matthew A.,Hartwig, John F.

supporting information, p. 4287 - 4299 (2014/04/03)

A study on the iridium-catalyzed C-H borylation of heteroarenes is reported. Several heteroarenes containing multiple heteroatoms were found to be amenable to C-H borylation catalyzed by the combination of an iridium(I) precursor and tetramethylphenanthroline. The investigations of the scope of the reaction led to the development of powerful rules for predicting the regioselectivity of borylation, foremost of which is that borylation occurs distal to nitrogen atoms. One-pot functionalizations are reported of the heteroaryl boronate esters formed in situ, demonstrating the usefulness of the reported methodology for the synthesis of complex heteroaryl structures. Application of this methodology to the synthesis and late-stage functionalization of biologically active compounds is also demonstrated. Mechanistic studies show that basic heteroarenes can bind to the catalyst and alter the resting state from the olefin-bound complex observed during arene borylation to a species containing a bound heteroarene, leading to catalyst deactivation. Studies on the origins of the observed regioselectivity show that borylation occurs distal to N-H bonds due to rapid N-H borylation, creating an unfavorable steric environment for borylation adjacent to these bonds. Computational studies and mechanistic studies show that the lack of observable borylation of C-H bonds adjacent to basic nitrogen is not the result of coordination to a bulky Lewis acid prior to C-H activation, but the combination of a higher-energy pathway for the borylation of these bonds relative to other C-H bonds and the instability of the products formed from borylation adjacent to basic nitrogen.

TREATMENT OF CANCERS HAVING K-RAS MUTATIONS

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Paragraph 0367, (2013/05/08)

The present invention provides a method of treating a cancer associated with a K-ras mutation in a subject in need thereof. The method comprises the steps of: (1) identifying a subject with a cancer associated with a K-ras mutation; and (2) administering to the subject (i) an inhibitor of PI3 kinase and (ii) an HDAC inhibitor, wherein the PI3 kinase inhibitor and the HDAC inhibitor are administered in amounts which together are therapeutically effective.

TREATMENT OF CANCERS HAVING K-RAS MUTATIONS

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Page/Page column 176-177, (2011/11/01)

The present invention provides a method of treating a cancer associated with a K- ras mutation in a subject in need thereof. The method comprises the steps of (1) identifying a subject with a cancer associated with a K-ras mutation; and (2) adminsiterign to the subject (i) an inhibitor of PI3 kinase and (ii) an HDAC inhibitor, wherein the PI3 kinase inhibitor and the HDAC inhibitor are administered in amounts which together are therapeutically effective.

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