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Tert-butyl 3-bromine-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate is a chemical compound that belongs to the class of pyrrolopyridines. It is an ester derivative with a tert-butyl group attached to the nitrogen atom, known for its unique structure and reactivity. tert-butyl 3-broMo-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate is commonly used in organic synthesis and medicinal chemistry as a building block for the synthesis of various biologically active molecules, making it a valuable intermediate for the preparation of pharmaceuticals and agrochemicals. It also has potential applications in the field of materials science and as a ligand in coordination chemistry.

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  • 1393546-06-9 Structure
  • Basic information

    1. Product Name: tert-butyl 3-broMo-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate
    2. Synonyms: tert-butyl 3-broMo-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate;Tert-butyl 3-bromo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate;TERT-BUTYL 3-BROMO-5H,6H,7H-PYRROLO[3,4-B]PYRIDINE-6-CARBOXYLATE
    3. CAS NO:1393546-06-9
    4. Molecular Formula: C12H15BrN2O2
    5. Molecular Weight: 299.1637
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1393546-06-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 354.0±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.450±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 2.81±0.20(Predicted)
    10. CAS DataBase Reference: tert-butyl 3-broMo-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: tert-butyl 3-broMo-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate(1393546-06-9)
    12. EPA Substance Registry System: tert-butyl 3-broMo-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate(1393546-06-9)
  • 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: 1393546-06-9(Hazardous Substances Data)

1393546-06-9 Usage

Uses

Used in Organic Synthesis:
Tert-butyl 3-bromine-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate is used as a building block in organic synthesis for the creation of various biologically active molecules. Its unique structure and reactivity contribute to the synthesis of complex organic compounds.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, tert-butyl 3-bromine-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate is used as a key intermediate in the development of pharmaceuticals. Its properties allow for the construction of new drug candidates with potential therapeutic applications.
Used in Agrochemicals:
Tert-butyl 3-bromine-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate is also utilized in the synthesis of agrochemicals, serving as a crucial component in the development of new pesticides and other agricultural chemicals to improve crop protection and yield.
Used in Materials Science:
tert-butyl 3-broMo-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate has potential applications in materials science, where it can be incorporated into the design and synthesis of new materials with specific properties for various industrial uses.
Used as a Ligand in Coordination Chemistry:
Tert-butyl 3-bromine-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate can be used as a ligand in coordination chemistry, playing a role in the formation of coordination complexes with metal ions, which can have applications in catalysis, sensing, and other areas of chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 1393546-06-9 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,9,3,5,4 and 6 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1393546-06:
(9*1)+(8*3)+(7*9)+(6*3)+(5*5)+(4*4)+(3*6)+(2*0)+(1*6)=179
179 % 10 = 9
So 1393546-06-9 is a valid CAS Registry Number.

1393546-06-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 3-bromo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate

1.2 Other means of identification

Product number -
Other names TERT-BUTYL 3-BROMO-5H-PYRROLO[3,4-B]PYRIDINE-6(7H)-CARBOXYLATE

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:1393546-06-9 SDS

1393546-06-9Relevant articles and documents

Substituted ring compound and its method and use thereof

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Paragraph 0602; 0603; 0604; 0605; 0816; 0817; 0818, (2017/08/25)

The invention provides a substituted cyclic compound as well as a use method and application thereof. The compound is a compound as shown in a formula (I) or stereoisomers, stereomers, tautomers, nitric oxides, solvates, metabolites and pharmaceutically acceptable salts or prodrugs of the compound as shown in the formula (I). The invention further provides a medicament composition containing the compound. The compound and the medicament composition are capable of regulating the activity of protein kinase in a biological sample body and are used for protecting, treating or relieving proliferative diseases of patients. The formula (I) is as shown in the specification.

BETA-LACTAMASE INHIBITORS

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, (2014/07/22)

Described herein are compounds and compositions that modulate the activity of beta-lactamases. In some embodiments, the compounds described herein inhibit beta-lactamase. In certain embodiments, the compounds described herein are useful in the treatment of bacterial infections.

SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF USE

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Paragraph 0236; 0289, (2014/06/24)

The present invention provides novel substituted alkynyl compounds, pharmaceutical acceptable salts and formulations thereof useful in modulating the protein tyrosine kinase activity, and in modulating cellular activities such as proliferation, differentiation, apoptosis, migration and invasion. The invention also provides pharmaceutically acceptable compositions comprising such compounds and methods of using the compositions in the treatment of hyperproliferative disorders in mammals, especially humans.

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