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Tert-butyl 3-acetylazetidine-1-carboxylate is a chemical compound that belongs to the class of acetylazetidine carboxylates. It is a derivative of azetidine, a four-membered ring containing a nitrogen atom. tert-butyl 3-acetylazetidine-1-carboxylate features a tertiary butyl group, which consists of three methyl groups attached to a central carbon atom, an acetyl group derived from acetic acid attached to the azetidine ring, and a carboxylate group indicating the presence of a carboxylic acid functional group. Its unique structure and reactivity make it a promising candidate for applications in organic synthesis and pharmaceutical research.

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  • 870089-49-9 Structure
  • Basic information

    1. Product Name: tert-butyl 3-acetylazetidine-1-carboxylate
    2. Synonyms: 1-Boc-3-acetyl-azetidine
    3. CAS NO:870089-49-9
    4. Molecular Formula: C10H17NO3
    5. Molecular Weight: 199.24688
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 870089-49-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 274.7±33.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.104±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: -2.86±0.40(Predicted)
    10. CAS DataBase Reference: tert-butyl 3-acetylazetidine-1-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: tert-butyl 3-acetylazetidine-1-carboxylate(870089-49-9)
    12. EPA Substance Registry System: tert-butyl 3-acetylazetidine-1-carboxylate(870089-49-9)
  • 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: 870089-49-9(Hazardous Substances Data)

870089-49-9 Usage

Uses

Used in Organic Synthesis:
Tert-butyl 3-acetylazetidine-1-carboxylate is used as a synthetic intermediate for the preparation of various organic compounds. Its unique structure and reactivity allow for the formation of new chemical bonds and the synthesis of complex molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, tert-butyl 3-acetylazetidine-1-carboxylate is used as a building block for the development of novel drug candidates. Its unique structure and functional groups can be utilized to create new molecules with potential therapeutic properties, contributing to the discovery of innovative treatments for various diseases.
Used in Medicinal Chemistry:
Tert-butyl 3-acetylazetidine-1-carboxylate is employed as a key component in the design and synthesis of bioactive molecules. Its unique structural features and reactivity enable the creation of compounds with specific binding affinities and selectivity towards biological targets, such as enzymes, receptors, or other proteins, which can be further optimized for improved potency and selectivity in drug discovery processes.

Check Digit Verification of cas no

The CAS Registry Mumber 870089-49-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,0,0,8 and 9 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 870089-49:
(8*8)+(7*7)+(6*0)+(5*0)+(4*8)+(3*9)+(2*4)+(1*9)=189
189 % 10 = 9
So 870089-49-9 is a valid CAS Registry Number.

870089-49-9Relevant articles and documents

NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF

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Paragraph 0811-0812, (2020/03/09)

It is intended to provide a novel compound having high antitumor activity and low toxicity to normal cells. The present invention provides a pyridone carboxylic acid derivative represented by the following formula (1) or a salt thereof wherein R1 represents a hydrogen atom, a halogen atom or the like; R2 represents a hydrogen atom, a halogen atom or the like; R3 to R6 each represent a hydrogen atom or the like; R7 represents a hydrogen atom or the like; R8 represents a hydrogen atom, a halogen atom, the following formula (a) (wherein Ra1 and Ra2 each represent a hydrogen atom, a hydroxy group, an optionally substituted lower alkyl group or the like) or the like, or R7 and R8 together represent —N—OR10 (wherein R10 represents a hydrogen atom, an optionally substituted lower alkyl group, or an aralkyl group), or R7 and R8 form an optionally substituted 4- to 6-membered saturated hetero ring together with the adjacent carbon atom, or the like; R9 represents a hydrogen atom or the like; X represents a nitrogen atom or the like; and Y represents a nitrogen atom or the like.

FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS

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, (2018/06/26)

The invention is fused heterocyclic compounds of formula (I), and salts thereof, compositions thereof, and methods of use therefor. In particular, disclosed herein are certain fused heterocyclic compounds that can be useful for inhibiting protein kinase, including Bruton’ s tyrosine kinase (Btk), and for treating disorders mediated thereby.

SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE

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, (2016/04/10)

Compounds having a structure of Formula (IX) or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof, wherein R1, R2a, R2b, R3a, R3b, R4a, R4b, Q1----Q2, R6, R7, A, B, W, x, and y are as defined herein and are provided. Pharmaceutical compositions comprising such compounds and methods for treating various HAT-related conditions or diseases, including cancer, by administration of such compounds are also provided.

SUBSTITUTED DIHYDROISOQUINOLINONE COMPOUNDS

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, (2015/12/30)

This invention relates to compounds of general formula (I) in which R1, R2, R3, R4, L, X and Z are as defined herein, and the pharmaceutically acceptable salts thereof, to pharmaceutical compositions comprising such compounds and salts, and to methods of using such compounds, salts and compositions for the treatment of abnormal cell growth, including cancer.

FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS

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, (2014/11/13)

The invention is fused heterocyclic compounds of formula (I), and salts thereof, compositions thereof, and methods of use therefor. In particular, disclosed herein are certain fused heterocyclic compounds that can be useful for inhibiting protein kinase, including Bruton's tyrosine kinase (Btk), and for treating disorders mediated thereby.

HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES

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Page/Page column 114, (2013/02/28)

The invention relates to compounds of formula (I): as defined in the application. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of MDM2 and/or MDM4, or variants thereof.

NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS

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Page/Page column 147-148, (2011/06/19)

The invention relates to novel heterocyclic acrylamide compounds (I), to the preparation of the compounds and intermediates used therein, to the use of the compounds as antibacterial medicaments and pharmaceutical compositions containing the compounds.

AMINO-HETEROCYCLIC COMPOUNDS

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Page/Page column 31-32, (2010/08/07)

The invention provides PDE9-inhibiting compounds of Formula (I), and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, A, and n are as defined herein. Pharmaceutical compositions containing the compounds of Formula I, and uses thereof in treating neurodegenerative and cognitive disorders, such as Alzheimer's disease and schizophrenia, are also provided.

CYCLOBUTENEDIONE DERIVATIVES

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Page/Page column 87, (2010/12/17)

The present invention relates to compounds of the formula (I): to pharmaceutically acceptable salts therefore and to pharmaceutically acceptable solvates of said compounds and salts, wherein the substituents are defined herein; to compositions containing such compounds; and to the uses of such compounds in the treatment of various diseases, particularly inflammatory conditions.

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