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3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID is a chemical compound belonging to the benzoic acid family, characterized by a unique molecular structure that includes a boron atom. With the molecular formula C14H19BO4, 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID exhibits potential for various applications in organic synthesis and medicinal chemistry due to its distinctive boron-containing functional group.

515131-35-8

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  • 4-METHYL-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)BENZOIC ACID

    Cas No: 515131-35-8

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515131-35-8 Usage

Uses

Used in Organic Synthesis:
3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID is used as a building block for the synthesis of more complex organic molecules and materials with specialized properties. Its unique structure allows for the creation of compounds with tailored characteristics for specific applications.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID is utilized for its potential to interact with biological systems in a specific and unique manner. The boron-containing moiety may lead to interesting biological activities or pharmaceutical applications, warranting further research and development to explore its full potential.
Used in Pharmaceutical Development:
3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID is employed as a precursor in the development of pharmaceuticals, where its boron atom could be key in the design of novel drugs with unique mechanisms of action or improved pharmacokinetic properties.
Used in Material Science:
In material science, 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID is used as a component in the synthesis of advanced materials with specialized properties, such as those with enhanced thermal stability, electrical conductivity, or optical characteristics.
Further research and development of 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID may reveal additional potential uses and properties, expanding its applications across various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 515131-35-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,1,5,1,3 and 1 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 515131-35:
(8*5)+(7*1)+(6*5)+(5*1)+(4*3)+(3*1)+(2*3)+(1*5)=108
108 % 10 = 8
So 515131-35-8 is a valid CAS Registry Number.
InChI:InChI=1/C14H19BO4/c1-9-6-7-10(12(16)17)8-11(9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)

515131-35-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid

1.2 Other means of identification

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

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:515131-35-8 SDS

515131-35-8Relevant articles and documents

Spiro derivative, preparation method thereof and application of spiro derivative in medicine

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Paragraph 0767; 0777-0779, (2021/08/19)

The invention relates to a spiro derivative, a preparation method thereof and application of the spiro derivative in medicine. Specifically, the invention relates to the spiro derivative shown in a general formula (I), the preparation method thereof, a pharmaceutical composition containing the spiro derivative and application of the spiro derivative as a therapeutic agent, especially application of the spiro derivative as an RAF inhibitor and application of the spiro derivative in preparation of drugs for treating or preventing various diseases (including cancers) related to over-expression RAF activity.

IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF

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Paragraph 00248-00249; 00286, (2020/06/01)

The present disclosure provides compounds of Formula (I′) (e.g., compounds of Formula (I)), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, cocrystals, tautomers, stereoisomers, isotopically labeled derivatives, and prodrugs thereof

Fast and Tight Boronate Formation for Click Bioorthogonal Conjugation

Akgun, Burcin,Hall, Dennis G.

supporting information, p. 3909 - 3913 (2016/03/19)

A new click bioorthogonal reaction system was devised to enable the fast ligation (kON≈340 m-1 s-1) of conjugatable derivatives of a rigid cyclic diol (nopoldiol) and a carefully optimized boronic acid partner, 2-methyl-5-carboxymethylphenylboronic acid. Using NMR and fluorescence spectroscopy studies, the corresponding boronates were found to form reversibly within minutes at low micromolar concentration in water, providing submicromolar equilibrium constant (Keq≈105-106 m-1). Efficient protein conjugation under physiological conditions was demonstrated with model proteins thioredoxin and albumin, and characterized by mass spectrometry and gel electrophoresis.

2-AMINOQUINAZOLINE DERIVATIVE

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Page/Page column 53, (2011/01/12)

A 2-aminoquinazoline derivative represented by formula (I) {wherein R1 represents a hydrogen atom, or the like, R2 represents a hydrogen atom, R3 represents formula (II) [wherein A1 represents formula (III), or the like, R8 represents lower alkyl, or the like, and R9 represents optionally substituted aryl, or the like], R4 represents hydroxy, or the like, and R5 represents optionally substituted aryl, or the like}, or a pharmaceutically acceptable salt thereof is provided.

Biphenyl amide p38 kinase inhibitors 3: Improvement of cellular and in vivo activity

Angell, Richard,Aston, Nicola M.,Bamborough, Paul,Buckton, Jacky B.,Cockerill, Stuart,deBoeck, Suzanne J.,Edwards, Chris D.,Holmes, Duncan S.,Jones, Katherine L.,Laine, Dramane I.,Patel, Shila,Smee, Penny A.,Smith, Kathryn J.,Somers, Don O.,Walker, Ann L.

scheme or table, p. 4428 - 4432 (2009/04/06)

The biphenyl amides (BPAs) are a novel series of p38α MAP kinase inhibitor. The optimisation of the series to give compounds that are potent in an in vivo disease model is discussed. SAR is presented and rationalised with reference to the crystallographic binding mode.

BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS

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Page/Page column 44-45, (2008/06/13)

New bicyclic derivatives of formula (I), wherein the meanings for the various substituents are as disclosed in the description. These compounds are useful as p38 kinase inhibitors.

Aryl nitrogen-containing bicyclic compounds and methods of use

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Page/Page column 29, (2010/11/26)

The present invention comprises a new class of compounds useful for the prophylaxis and treatment of protein kinase mediated diseases, including inflammation, cancer and related conditions. The compounds have a general Formula I wherein A1, As

NOVEL COMPOUNDS

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Page/Page column 76, (2008/06/13)

Novel substituted 2,4,8-trisubstituted-8H-pyrido[2,3-d]pyrimidin-7-one compounds, and 1,5,7-trisubstituted-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2-(1H)-one compounds and compositions, and their use in therapy as CSBP/RK/p38 kinase inhibitors.

NOVEL COMPOUNDS

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Page/Page column 108-109, (2008/06/13)

Novel substituted 2,4,8-trisubstituted 8H-pyrido[2,3-d]pyrimidin-7-one containing compounds and compositions, and their use use in therapy as CSBP/RK/p38 kinase inhibitors.

NOVEL COMPOUNDS

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Page/Page column 103-104, (2010/11/29)

Novel substituted 1,5,7-trisubstituted-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2-(1H)-one compounds and compositions, and their use in therapy as CSBP/RK/p38 kinase inhibitors.

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