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1-METHYL-1H-INDOLE-4-BORONIC ACID, PINACOL ESTER 97%1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE, also known as 1-methyl-1H-indole-4-boronic acid, pinacol ester, is a chemical compound utilized in organic synthesis and pharmaceutical research. It features a boronic acid ester with a pinacol group attached to the boron atom, which renders it a versatile reagent for Suzuki-Miyaura cross-coupling reactions. 1-METHYL-1H-INDOLE-4-BORONIC ACID, PINACOL ESTER 97%1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE is recognized for its high purity level of 97%, making it a dependable and potent reagent for chemical and pharmaceutical applications.

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  • 1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE

    Cas No: 898289-06-0

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  • 1-METHYL-1H-INDOLE-4-BORONIC ACID, PINACOL ESTER 97%1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE

    Cas No: 898289-06-0

  • USD $ 10.0-10.0 / Milligram

  • 1 Milligram

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  • 898289-06-0 Structure
  • Basic information

    1. Product Name: 1-METHYL-1H-INDOLE-4-BORONIC ACID, PINACOL ESTER 97%1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE
    2. Synonyms: 1-METHYL-1H-INDOLE-4-BORONIC ACID, PINACOL ESTER 97%1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE;1-METHYL-1H-INDOLE-4-BORONIC ACID, PINACOL ESTER;1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE;1-Methyl-1H-indole-4-boronic acid, pinacol ester 97%;1-Methylindol-4-boronic acid, pinacol ester;1-Methy-1H-indol-4-ylboronic acid pinacol ester;1-Methyl-1H-indole-4-boronicacid,pinacolester97%;1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
    3. CAS NO:898289-06-0
    4. Molecular Formula: C15H20BNO2
    5. Molecular Weight: 257.14
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 898289-06-0.mol
  • Chemical Properties

    1. Melting Point: 94.5-96.5
    2. Boiling Point: 391.3°C at 760 mmHg
    3. Flash Point: 190.5°C
    4. Appearance: /
    5. Density: 1.05g/cm3
    6. Vapor Pressure: 5.6E-06mmHg at 25°C
    7. Refractive Index: 1.533
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-METHYL-1H-INDOLE-4-BORONIC ACID, PINACOL ESTER 97%1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-METHYL-1H-INDOLE-4-BORONIC ACID, PINACOL ESTER 97%1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE(898289-06-0)
    12. EPA Substance Registry System: 1-METHYL-1H-INDOLE-4-BORONIC ACID, PINACOL ESTER 97%1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE(898289-06-0)
  • 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: 898289-06-0(Hazardous Substances Data)

898289-06-0 Usage

Uses

Used in Pharmaceutical Research and Development:
1-METHYL-1H-INDOLE-4-BORONIC ACID, PINACOL ESTER 97%1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE is used as a building block for drug discovery and development due to its ability to facilitate the synthesis of complex organic molecules with potential therapeutic properties.
Used in Organic Synthesis:
In the field of organic synthesis, 1-METHYL-1H-INDOLE-4-BORONIC ACID, PINACOL ESTER 97%1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE is used as a reagent for Suzuki-Miyaura cross-coupling reactions, which are crucial for the formation of carbon-carbon bonds in the synthesis of various biologically active molecules.
Used in the Synthesis of Biologically Active Molecules:
1-METHYL-1H-INDOLE-4-BORONIC ACID, PINACOL ESTER 97%1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE is employed in the synthesis of biologically active molecules, leveraging its reactivity in cross-coupling reactions to create compounds with potential applications in medicine and biology.

Check Digit Verification of cas no

The CAS Registry Mumber 898289-06-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,9,8,2,8 and 9 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 898289-06:
(8*8)+(7*9)+(6*8)+(5*2)+(4*8)+(3*9)+(2*0)+(1*6)=250
250 % 10 = 0
So 898289-06-0 is a valid CAS Registry Number.
InChI:InChI=1/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-6-8-13-11(12)9-10-17(13)5/h6-10H,1-5H3

898289-06-0SDS

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 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

1.2 Other means of identification

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

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:898289-06-0 SDS

898289-06-0Downstream Products

898289-06-0Relevant articles and documents

SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES

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Page/Page column 49; 56, (2020/02/14)

The present invention relates to compounds according to general formula (I) which act as modulators of the glucocorticoid receptor and can be used in the treatment and/or prophylaxis of disorders which are at least partially mediated by the glucocorticoid receptor.

SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE

-

, (2019/01/21)

The present invention provides compounds of Formula (I) or a subgeneric structure or species thereof, or a pharmaceutically acceptable salt, ester, solvate, and/or prodrug thereof, and methods and compositions for treating or ameliorating abnormal cell pr

METHODS OF MANUFACTURING OF BORON COMPOUND WITHOUT TRANSITION METALS

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Paragraph 0065; 0066; 0071; 0072; 0079, (2018/05/03)

The present invention refers to aryl boron compound number bath method relates to search, more particularly transition metal catalyst to a tank without the use of boron compounds number is given to the aryl organic halo [ceyn [ceyn] freight method are disclosed to boron. (by machine translation)

SUBSTITUTED QUINOXALINE DERIVATIVES

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Page/Page column 196; 212, (2016/12/01)

The present invention relates to substituted quinoxaline derivatives. These compounds are useful for the prevention and/or treatment of several medical conditions including hyperproliferative disorders and diseases.

Rhodium-catalyzed borylation of aryl 2-pyridyl ethers through cleavage of the carbon-oxygen bond: Borylative removal of the directing group

Kinuta, Hirotaka,Tobisu, Mamoru,Chatani, Naoto

, p. 1593 - 1600 (2015/03/05)

The rhodium-catalyzed reaction of aryl 2-pyridyl ethers with a diboron reagent results in the formation of arylboronic acid derivatives via activation of the C(aryl)-O bonds. The straightforward synthesis of 1,2-disubstituted arenes was enabled through catalytic ortho C-H bond functionalization directed by the 2-pyridyloxy group followed by substitution of this group with a boryl group. Several control experiments revealed that the presence of a sp2 nitrogen atom at the 2-position of the substrate and the use of a boron-based reagent were crucial for the activation of the relatively inert C(aryl)-O bond of aryl 2-pyridyl ethers.

Cine substitution of arenes using the aryl carbamate as a removable directing group

Mesganaw, Tehetena,Fine Nathel, Noah F.,Garg, Neil K.

supporting information; experimental part, p. 2918 - 2921 (2012/07/28)

An efficient and controlled means to achieve a rare cine substitution of arenes is reported. The methodology relies on the strategic use of aryl O-carbamates as readily removable directing groups for arene functionalization. The removal of aryl carbamates is achieved by employing an air-stable Ni(II) precatalyst, along with an inexpensive reducing agent, to give synthetically useful yields across a range of substrates. The net cine substitution process offers a new strategy for analogue synthesis, which complements the well-established logic for achieving arene functionalization by ipso substitution.

Convenient synthesis of 1H-indol-1-yl boronates via palladium(0)-catalyzed borylation of bromo-1H-indoles with 'pinacolborane'

Stadlwieser, Josef F.,Dambaur, Markus E.

, p. 936 - 946 (2007/10/03)

An atom-economic Pd0-catalyzed synthesis of a series of pinacol-type indolylboronates 3 from the corresponding bromoindole substrates 2 and pinacolborane (pinBH) as borylating agent was elaborated. The optimal catalyst system consisted of a 1:2 mixture of [Pd(OAc)2] and the ortho-substituted biphenylphosphine ligand L-3 (Scheme 4, Table). Our synthetic protocol was applied to the fast, preparative-scale synthesis of 1-substituted indolylboronates 3a-h in the presence of different functional groups, and at a catalyst load of only 1 mol-% of Pd.

Anti-cancer agents and uses thereof

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Page/Page column 37, (2008/06/13)

The present invention is in the area of novel compounds and salts thereof, their syntheses, and their use as anti-cancer agents. The compounds include compounds of Formula I: and solvates, hydrates and pharmaceutically-acceptable salts thereof, wherein A1 is N or CR1; A3 is N or CR3; A5 is N or CR5; R1, R3—R6 and L are defined in the specification; n is 0 or 1; and X is an optionally-substituted aryl group having 6-10 carbons in the ring portion, an optionally-substituted 6-membered heteroaryl group having 1-3 nitrogen atoms in the ring portion, an optionally-substituted 5-membered heteroaryl group having 0-4 nitrogen atoms in the ring portion and optionally having 1 sulfur atom or 1 oxygen atom in the ring portion, or an optionally-substituted heteroaryl group in which a 6-membered ring is fused either to a 5-membered ring or to a 6-membered ring, wherein in each case 1, 2, 3 or 4 ring atoms are heteroatoms independently selected from nitrogen, oxygen and sulfur. They are effective against a broad range of cancers, especially leukemia, non-small cell lung and colon.

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