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3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone is an organic compound characterized by its unique chemical structure, which features a cyclohexenone core with a tetramethyl-1,3,2-dioxaborolan-2-yl group attached to the 3-position. 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone is known for its potential applications in the synthesis of various pharmaceuticals and chemical products.

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  • 1187055-81-7 Structure
  • Basic information

    1. Product Name: 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone
    2. Synonyms: 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone;2-Cyclohexene-1-one-3-boronic acid pinacol ester;3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-enone;3-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one;3-(4,4,5,5-TETRAMETHYL-1,3-DIOXOLAN-2-YL)-;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one
    3. CAS NO:1187055-81-7
    4. Molecular Formula: C12H19BO3
    5. Molecular Weight: 222.08846
    6. EINECS: N/A
    7. Product Categories: Organic boronic acid
    8. Mol File: 1187055-81-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 258.5±50.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.03±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. CAS DataBase Reference: 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone(1187055-81-7)
    11. EPA Substance Registry System: 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone(1187055-81-7)
  • 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: 1187055-81-7(Hazardous Substances Data)

1187055-81-7 Usage

Uses

Used in Pharmaceutical Industry:
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone is used as an intermediate in the synthesis of β-secretase inhibitors for the treatment of Alzheimer's disease. These inhibitors target the enzyme β-secretase, which plays a crucial role in the production of amyloid-beta peptides, a key factor in the development of Alzheimer's disease. By inhibiting this enzyme, the compound can potentially slow down or prevent the progression of the disease.
Used in Chemical Synthesis:
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone can also be utilized as a building block in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and other specialty chemicals. Its unique structure allows for further functionalization and modification, making it a versatile starting material for the development of new molecules with diverse applications.

Check Digit Verification of cas no

The CAS Registry Mumber 1187055-81-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,8,7,0,5 and 5 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1187055-81:
(9*1)+(8*1)+(7*8)+(6*7)+(5*0)+(4*5)+(3*5)+(2*8)+(1*1)=167
167 % 10 = 7
So 1187055-81-7 is a valid CAS Registry Number.

1187055-81-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one

1.2 Other means of identification

Product number -
Other names -

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:1187055-81-7 SDS

1187055-81-7Relevant articles and documents

Compounds used as JAK inhibitor, and use of compounds

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Paragraph 0431; 0432; 0433; 0434; 0435, (2017/08/27)

The invention provides compounds used as a JAK inhibitor, and a use of the compounds, and concretely provides compounds (represented by formula (I)) with JAK inhibition activity or a stereoisomer, a geometric isomer, a tautomer, a racemate, a nitrogen oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, and a medicinal composition including the compounds. The invention also discloses a use of the compounds or the medicinal composition thereof in the preparation of medicines used for treating autoimmune diseases or proliferative diseases.

Aminoheteroaryl benzamides as kinase inhibitors

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, (2016/02/15)

The present invention provides a compound of Formula (I) or a salt thereof; and therapeutic uses of these compounds. The present invention further provides pharmaceutical compositions comprising these compounds, and compositions comprising these compounds with a therapeutic co-agent.

N-B dative bond-induced [3.3.0] bicyclic boronate-tethered exo-selective intramolecular Diels-Alder reaction

Feng, Chao,Wang, Hong,Xu, Liang,Li, Pengfei

supporting information, p. 7136 - 7139 (2015/07/01)

We report herein a highly exo-selective intramolecular Diels-Alder reaction of alkenyl boronates which employs an N-B dative bond-involved bicyclic rigid tether. Complex C(sp3)-rich polycyclic molecules containing up to 8 stereocenters can be readily formed via an operationally simple two-step procedure.

Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a potent and selective proviral insertion site of Moloney murine leukemia (PIM) 1, 2, and 3 kinase inhibitor in clinical trials for hematological malignancies

Burger, Matthew T.,Nishiguchi, Gisele,Han, Wooseok,Lan, Jiong,Simmons, Robert,Atallah, Gordana,Ding, Yu,Tamez, Victoriano,Zhang, Yanchen,Mathur, Michelle,Muller, Kristine,Bellamacina, Cornelia,Lindvall, Mika K.,Zang, Richard,Huh, Kay,Feucht, Paul,Zavorotinskaya, Tatiana,Dai, Yumin,Basham, Steve,Chan, Julie,Ginn, Elaine,Aycinena, Alex,Holash, Jocelyn,Castillo, Joseph,Langowski, John L.,Wang, Yingyun,Chen, Min Y.,Lambert, Amy,Fritsch, Christine,Kauffmann, Audry,Pfister, Estelle,Vanasse, K. Gary,Garcia, Pablo D.

, p. 8373 - 8386 (2015/11/25)

Pan proviral insertion site of Moloney murine leukemia (PIM) 1, 2, and 3 kinase inhibitors have recently begun to be tested in humans to assess whether pan PIM kinase inhibition may provide benefit to cancer patients. Herein, the synthesis, in vitro activity, in vivo activity in an acute myeloid leukemia xenograft model, and preclinical profile of the potent and selective pan PIM kinase inhibitor compound 8 (PIM447) are described. Starting from the reported aminopiperidyl pan PIM kinase inhibitor compound 3, a strategy to improve the microsomal stability was pursued resulting in the identification of potent aminocyclohexyl pan PIM inhibitors with high metabolic stability. From this aminocyclohexyl series, compound 8 entered the clinic in 2012 in multiple myeloma patients and is currently in several phase 1 trials of cancer patients with hematological malignancies.

BICYCLIC AROMATIC CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS

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Paragraph 0555; 0556, (2014/07/23)

The present disclosure describes bicyclic aromatic carboxamide derivatives, as well as their compositions and methods of use. The compounds inhibit the activity of the Pim kinases, and are useful in the treatment of diseases related to the activity of Pim kinases including, e.g., cancer and other diseases.

ARYL-SUBSTITUTED FUSED BICYCLIC PYRIDAZINE COMPOUNDS

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Page/Page column 109, (2014/07/08)

The present invention provides a compound of formula (I) as described herein, and pharmaceutically acceptable salts, enantiomers, rotamers, tautomers, or racemates thereof. Also provided are methods of treating a disease or condition mediated by PIM kinase using the compounds of Formula (I), and pharmaceutical compositions comprising such compounds.

Kinase inhibitors and methods of their use

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Page/Page column 15, (2010/04/23)

New compounds, compositions and methods of inhibition of Provirus Integration of Maloney Kinase (PIM kinase) activity associated with tumorigenesis in a human or animal subject are provided. In certain embodiments, the compounds and compositions are effective to inhibit the activity of at least one PIM kinase. The new compounds and compositions may be used either alone or in combination with at least one additional agent for the treatment of a serine/threonine kinase- or receptor tyrosine kinase-mediated disorder, such as cancer.

PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS

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Page/Page column 150, (2010/06/15)

Pyrazine compounds, and compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.

AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS

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Page/Page column 154; 155, (2010/07/04)

Pyridine and pyrimidine compounds: or a pharmaceutically acceptable salt thereof, wherein m, n, R1, R2, R3, R4, R5, R6, R7, X1, X2, X3, X4, X5, X6, X7, X8, and Y are as defined in the specification; or a pharmaceutically acceptable salt thereof, wherein ring A, m, n, y, R2, R3, R4, R5, R6, R7, R8, R9, X1, X2, and ring A are as defined in the specification; and or a pharmaceutically acceptable salt thereof, wherein m, n, y, R2, R3, R4, R5, R6, R7, R9, X1, X2, and ring A are as defined in the specification; compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.

Pim kinase inhibitors and methods of their use

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Page/Page column 31, (2010/09/05)

The present invention relates to new compounds of Formulas I and II, their tautomers, stereoisomers and polymorphs, and pharmaceutically acceptable salts, esters, metabolites or prodrugs thereof, compositions of the new compounds together with pharmaceutically acceptable carriers, and uses of the new compounds, either alone or in combination with at least one additional therapeutic agent, in the inhibition of Pim kinase activity and/or the prophylaxis or treatment of cancer.

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