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Tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate is a complex organic ester compound that is highly valued for its stability and versatility in organic synthesis. It serves as a crucial building block in the development of pharmaceuticals and agrochemicals, contributing to the creation of a wide range of complex organic molecules due to its unique structural attributes.

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  • 8-(tert-Butoxy)-carbonyl-8-azabicyclo[3.2.1]oct-2-ene-3-boronic acid pinacol ester

    Cas No: 900503-08-4

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  • 8-Azabicyclo[3.2.1]oct-2-ene-8-carboxylicacid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

    Cas No: 900503-08-4

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  • 8-Boc-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-8-aza-bicyclo[3.2.1]oct-2-ene

    Cas No: 900503-08-4

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  • 900503-08-4 Structure
  • Basic information

    1. Product Name: tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate
    2. Synonyms: tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate;3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid 1,1-dimethylethyl ester;8-(tert-Butoxy)carbonyl-8-azabicyclo[3.2.1]oct-2-ene-3-boronic acid pinacol ester;8-Boc-3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene;tert-butyl3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate;tert-butyl 3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylat;8-Azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid, 3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester;8-Boc-8-azabicyclo[3.2.1]oct-2-ene-3-boronic acid pinacol ester
    3. CAS NO:900503-08-4
    4. Molecular Formula: C18H30BNO4
    5. Molecular Weight: 335.249
    6. EINECS: N/A
    7. Product Categories: Organic boronic acid
    8. Mol File: 900503-08-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 378.2 °C at 760 mmHg
    3. Flash Point: 182.5 °C
    4. Appearance: /
    5. Density: 1.08
    6. Vapor Pressure: 6.4E-06mmHg at 25°C
    7. Refractive Index: 1.507
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: -1.34±0.40(Predicted)
    11. CAS DataBase Reference: tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate(CAS DataBase Reference)
    12. NIST Chemistry Reference: tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate(900503-08-4)
    13. EPA Substance Registry System: tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate(900503-08-4)
  • 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: 900503-08-4(Hazardous Substances Data)

900503-08-4 Usage

Uses

Used in Organic Synthesis:
Tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate is used as a reagent in organic synthesis for its ability to facilitate the formation of new chemical bonds and structures. Its high stability makes it an ideal candidate for reactions that require robust intermediates.
Used in Pharmaceutical Production:
In the pharmaceutical industry, tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate is used as a key building block for the synthesis of various drug molecules. Its structural complexity allows for the development of innovative medications with unique mechanisms of action.
Used in Agrochemical Development:
Similarly, in agrochemicals, tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate is utilized as a fundamental component in the synthesis of pesticides and other crop protection agents, enhancing the effectiveness and selectivity of these products.
Used in Research and Development:
Tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate is also used in research and development settings as a tool to explore new chemical reactions and mechanisms, further expanding the horizons of organic chemistry and its applications.

Check Digit Verification of cas no

The CAS Registry Mumber 900503-08-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,0,0,5,0 and 3 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 900503-08:
(8*9)+(7*0)+(6*0)+(5*5)+(4*0)+(3*3)+(2*0)+(1*8)=114
114 % 10 = 4
So 900503-08-4 is a valid CAS Registry Number.
InChI:InChI=1/C18H30BNO4/c1-16(2,3)22-15(21)20-13-8-9-14(20)11-12(10-13)19-23-17(4,5)18(6,7)24-19/h10,13-14H,8-9,11H2,1-7H3

900503-08-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate

1.2 Other means of identification

Product number -
Other names tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-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:900503-08-4 SDS

900503-08-4Relevant articles and documents

Compound and application thereof

-

Paragraph 0315-0316; 0319-0320, (2019/04/17)

The invention provides a novel compound. The novel compound has certain inhibitory activity for indoleamine 2,3-dioxygenase (IDO) which is oxido-reductase, and accordingly the novel compound can be used for treating diseases related to the indoleamine 2,3-dioxygenase and can be applied to cancer and immunity related diseases.

HPK1 inhibitor and application thereof

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Paragraph 0515; 0519-0521, (2019/05/16)

The invention belongs to the technical field of medicines, and specifically relates to an HPK1 inhibitor compound as shown in a formula (I) which is described in the specification or a pharmaceutically-acceptable salt and a stereoisomer of the HPK1 inhibi

TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE INHIBITORS OF ATR KINASE

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Paragraph 0372; 0374; 0375, (2018/12/13)

The present invention relates to tetrahydropyrido[4,3-d]pyrimidine based compounds and methods which may be useful as inhibitors of ATR kinase for the treatment or prevention of cancer.

Tyrosine Kinase Inhibitor And Uses Thereof

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Paragraph 0520-0521, (2017/05/15)

Disclosed is a compound of Formula (I) or a pharmaceutically acceptable salt, ester, or solvate thereof, or their stereoisomers, which can be used as tyrosine kinase inhibitor. Also disclosed is a method for preparing the compound, a pharmaceutical composition and a kit comprising the compound, and uses of the compound. The compound can be used as tyrosine kinase inhibitor, or can be used to reduce or inhibit activity of EGFR or mutant thereof, such as EGFR mutant comprising T790M mutation, in a cell, or to treat and/or prevent a disease associated with overactivity of EGFR, such as cancer.

Imidazopyrazine Derivatives as Modulators of TNF Activity

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Paragraph 0476, (2015/07/15)

A series of imidazo[1,2-α]pyrazine derivatives, being potent modulators of human TNFα activity, are accordingly of benefit in the treatment and/or prevention of various human ailments, including autoimmune and inflammatory disorders; neurological and neurodegenerative disorders; pain and nociceptive disorders; cardiovascular disorders; metabolic disorders; ocular disorder; and oncological disorders.

IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY

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Page/Page column 93, (2014/02/15)

A series of imidazo[1,2-α]pyrazine derivatives, being potent modulators of human TNFα activity, are accordingly of benefit in the treatment and/or prevention of various human ailments, including autoimmune and inflammatory disorders; neurological and neurodegenerative disorders; pain and nociceptive disorders; cardiovascular disorders; metabolic disorders; ocular disorders; and oncological disorders.

PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS

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Page/Page column 458, (2014/09/29)

Disclosed are compounds of Formula (IIa), wherein R1, R2, R3A, R3B, R3C, R3D, R3E, and R4 are as defined in the specification, and pharmaceutically acceptable salts thereof. The compounds may be used as agents in the treatment of diseases, including cancer. Also provided are pharmaceutical compositions comprising one or more compounds of Formula (IIa)

FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN

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Page/Page column 41; 42, (2012/03/26)

This invention relates to novel fused tricyclic compounds that are inhibitors of mammalian Target of Rapamycin (mTOR) kinase, which is also known as FRAP, RAFT, RAPT or SEP, and are useful in the treatment of cellular proliferative diseases, for example c

FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN

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Page/Page column 49, (2012/03/26)

This invention relates to novel fused tricyclic compounds that are inhibitors of mammalian Target of Rapamycin (mTOR) kinase, which is also known as FRAP, RAFT, RAPT or SEP, and are useful in the treatment of cellular proliferative diseases, for example c

Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof

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, (2011/06/24)

The invention relates to tetrahydropyridinyl and dihydropyrrolyl compounds of Formula (I): and pharmaceutically acceptable salts, prodrugs, or solvates thereof, wherein X, Y, Z, R1, R2, m, and n are defined as set forth in the specification. The invention is also directed to the use of compounds of Formula (I) to treat a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

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