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1-(TERT-BUTOXYCARBONYL)INDOLE-3-BORONIC ACID is a boronic acid derivative featuring an indole ring, which endows it with unique reactivity and potential pharmacological properties. The presence of the tert-butoxycarbonyl group acts as a protective group, allowing for selective removal under specific conditions to facilitate further functionalization of the molecule. 1-(TERT-BUTOXYCARBONYL)INDOLE-3-BORONIC ACID is a significant player in the realm of medicinal chemistry and drug discovery due to its versatile reactivity and biological activity.

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  • 181365-26-4 Structure
  • Basic information

    1. Product Name: 1-(TERT-BUTOXYCARBONYL)INDOLE-3-BORONIC ACID
    2. Synonyms: 1H-Indole-1-carboxylicacid, 3-borono-, 1-(1,1-diMethylethyl) ester;(1-tert-Butoxycarbonylindol-3-yl)boronic acid;INDOLE-1-CARBOXYLIC ACID T-BUTYL ESTER-3-BORONIC ACID;AKOS BRN-0395;1-(TERT-BUTOXYCARBONYL)INDOLE-3-BORONIC ACID;1-Boc-indole-3-boronic Acid;(1-(tert-Butoxycarbonyl)-1H-indol-3-yl)boronic acid
    3. CAS NO:181365-26-4
    4. Molecular Formula: C13H16BNO4
    5. Molecular Weight: 261.08
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 181365-26-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 443.5±55.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.17±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
    8. Solubility: N/A
    9. PKA: 8.50±0.30(Predicted)
    10. CAS DataBase Reference: 1-(TERT-BUTOXYCARBONYL)INDOLE-3-BORONIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(TERT-BUTOXYCARBONYL)INDOLE-3-BORONIC ACID(181365-26-4)
    12. EPA Substance Registry System: 1-(TERT-BUTOXYCARBONYL)INDOLE-3-BORONIC ACID(181365-26-4)
  • 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: 181365-26-4(Hazardous Substances Data)

181365-26-4 Usage

Uses

Used in Organic Synthesis:
1-(TERT-BUTOXYCARBONYL)INDOLE-3-BORONIC ACID is used as a building block in organic synthesis for the creation of biologically active molecules. Its unique reactivity and the presence of the indole ring make it a valuable component in the synthesis of complex organic compounds.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 1-(TERT-BUTOXYCARBONYL)INDOLE-3-BORONIC ACID is utilized as a tool in drug development. Its potential pharmacological properties and the ability to modify its structure through the removal of the protective tert-butoxycarbonyl group make it instrumental in the design and synthesis of new drugs.
Used in Agrochemical Development:
1-(TERT-BUTOXYCARBONYL)INDOLE-3-BORONIC ACID also finds application in the agrochemical sector, where it serves as a key intermediate in the synthesis of bioactive compounds for use in crop protection and other agricultural applications. Its versatility in chemical reactions contributes to the development of novel agrochemicals with improved efficacy and selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 181365-26-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,1,3,6 and 5 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 181365-26:
(8*1)+(7*8)+(6*1)+(5*3)+(4*6)+(3*5)+(2*2)+(1*6)=134
134 % 10 = 4
So 181365-26-4 is a valid CAS Registry Number.

181365-26-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(TERT-BUTOXYCARBONYL)INDOLE-3-BORONIC ACID

1.2 Other means of identification

Product number -
Other names INDOLE-1-CARBOXYLIC ACID T-BUTYL ESTER-3-BORONIC 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:181365-26-4 SDS

181365-26-4Downstream Products

181365-26-4Relevant articles and documents

Pyrimidine derivatives Anaplastic lymphoma kinase inhibitors

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, (2017/07/23)

The invention belongs to the field of a medical technology and specifically relates to a pyrimidine derivative type anaplastic lymphoma kinase inhibitor as shown in the general formula (I) or its stereisomer, or its pharmaceutically acceptable salt, ester or solvate, wherein R1, R2, R3, R4, R5 and A ring are as defined in the specification. The invention also relates to a preparation method of the compounds, a pharmaceutic preparation and a pharmaceutical composition containing the compounds and an application of the compound or its stereisomer, or its pharmaceutically acceptable salt, ester or solvate in the preparation of medicines for treating and/or preventing diseases related to anaplastic lymphoma kinase-mediated cancer.

TREATMENT OF NEURODEGENERATIVE DISEASES USING INDATRALINE ANALOGS

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Page/Page column 102, (2009/04/25)

Methods and compositions useful in the treatment or prevention of synucleinopathies, such as Parkinson''s disease, diffuse Lewy body disease, and multiple system atrophy, or other neurodegenerative diseases (e.g., amyotrophic lateral sclerosis, Huntington''s disease, and Alzheimer''s disease) are provided. The treatment including administering to a subject an indatraline derivative that inhibits the aggregation of a-synuclein.

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