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TERT-BUTYL 3-FLUORO-4-OXOPIPERIDINE-1-CARBOXYLATE is an organic compound belonging to the piperidine class, characterized by the presence of an oxopiperidine, a tertiary butyl ester, and a fluorine atom. As a fluorinated compound, it can engage in various chemical reactions associated with fluorine. Its main feature is the 3-fluoro-4-oxopiperidin-1-yl moiety, indicating its potential as a building block in the synthesis of more complex molecules. However, detailed information about its properties and uses is limited, suggesting that it may be primarily a specialty or research chemical.

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  • 211108-50-8 Structure
  • Basic information

    1. Product Name: TERT-BUTYL 3-FLUORO-4-OXOPIPERIDINE-1-CARBOXYLATE
    2. Synonyms: TERT-BUTYL 3-FLUORO-4-OXOPIPERIDINE-1-CARBOXYLATE;4-Boc-Piperidinone,3-fluoro;3-Fluoro-4-boc- Piperidinone;tert-Butyl 3-fluoro-4-oxopiperidin-1-carboxylate;3-Fluoro-4-oxopiperidine-1-carboxylic acid tert-butyl ester;N-t-BOC-5-Fluoropiperidin-4-one;3-Fluoropiperidin-4-one, N-BOC protected;tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate, 1-(tert-Butoxycarbonyl)-3-fluoro-4-oxopiperidine
    3. CAS NO:211108-50-8
    4. Molecular Formula: C10H16FNO3
    5. Molecular Weight: 217.24
    6. EINECS: N/A
    7. Product Categories: kl
    8. Mol File: 211108-50-8.mol
  • Chemical Properties

    1. Melting Point: 88-90℃
    2. Boiling Point: 288.719 °C at 760 mmHg
    3. Flash Point: 128.413 °C
    4. Appearance: /
    5. Density: 1.152 g/cm3
    6. Vapor Pressure: 0.002mmHg at 25°C
    7. Refractive Index: 1.466
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: -3.61±0.40(Predicted)
    11. CAS DataBase Reference: TERT-BUTYL 3-FLUORO-4-OXOPIPERIDINE-1-CARBOXYLATE(CAS DataBase Reference)
    12. NIST Chemistry Reference: TERT-BUTYL 3-FLUORO-4-OXOPIPERIDINE-1-CARBOXYLATE(211108-50-8)
    13. EPA Substance Registry System: TERT-BUTYL 3-FLUORO-4-OXOPIPERIDINE-1-CARBOXYLATE(211108-50-8)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36-52
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 211108-50-8(Hazardous Substances Data)

211108-50-8 Usage

Uses

Used in Pharmaceutical Industry:
TERT-BUTYL 3-FLUORO-4-OXOPIPERIDINE-1-CARBOXYLATE is used as a building block for the synthesis of more complex molecules, particularly in the development of pharmaceuticals and fine chemicals. Its unique structure, including the 3-fluoro-4-oxopiperidin-1-yl moiety, makes it a valuable component in the creation of new drugs and compounds with potential therapeutic applications.
Used in Chemical Research:
TERT-BUTYL 3-FLUORO-4-OXOPIPERIDINE-1-CARBOXYLATE is used as a research chemical to explore its properties and potential applications in various chemical reactions. As a fluorinated compound, it can participate in reactions that involve fluorine, providing insights into the behavior of fluorinated molecules and their potential uses in different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 211108-50-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,1,1,0 and 8 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 211108-50:
(8*2)+(7*1)+(6*1)+(5*1)+(4*0)+(3*8)+(2*5)+(1*0)=68
68 % 10 = 8
So 211108-50-8 is a valid CAS Registry Number.
InChI:InChI=1/C10H16FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3

211108-50-8 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • TCI America

  • (B4858)  1-(tert-Butoxycarbonyl)-3-fluoro-4-piperidone  >97.0%(GC)

  • 211108-50-8

  • 200mg

  • 990.00CNY

  • Detail
  • TCI America

  • (B4858)  1-(tert-Butoxycarbonyl)-3-fluoro-4-piperidone  >97.0%(GC)

  • 211108-50-8

  • 1g

  • 2,990.00CNY

  • Detail
  • Alfa Aesar

  • (H33244)  1-Boc-3-fluoro-4-piperidone, 95%   

  • 211108-50-8

  • 250mg

  • 1285.0CNY

  • Detail
  • Aldrich

  • (753394)  1-Boc-3-fluoro-4-oxopiperidine  95%

  • 211108-50-8

  • 753394-250MG

  • 939.51CNY

  • Detail
  • Aldrich

  • (SYX00094)  tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate  AldrichCPR

  • 211108-50-8

  • SYX00094-1G

  • 7,411.95CNY

  • Detail

211108-50-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name TERT-BUTYL 3-FLUORO-4-OXOPIPERIDINE-1-CARBOXYLATE

1.2 Other means of identification

Product number -
Other names 1-Boc-3-fluoropiperidin-4-one

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:211108-50-8 SDS

211108-50-8Relevant articles and documents

Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model

Barberis, Claude,Erdman, Paul,Czekaj, Mark,Fire, Luke,Pribish, James,Tserlin, Elina,Maniar, Sachin,Batchelor, Joseph D.,Liu, Jinyu,Patel, Vinod F.,Hebert, Andrew,Levit, Mikhail,Wang, Anlai,Sun, Frank,Huang, Shih-Min A.

, (2020)

N-substituted azaindoles were discovered as potent pan-PIM inhibitors. Lead optimization, guided by structure and focused on physico-chemical properties allowed us to solve inherent hERG and permeability liabilities, and provided compound 27, which subseq

Development of the Convergent, Kilogram-Scale Synthesis of an Antibacterial Clinical Candidate Using Enantioselective Hydrogenation

Benson, Helen,Bones, Karen,Churchill, Gwydion,Ford, Gair,Frodsham, Lianne,Janbon, Sophie,Millington, Fiona,Powell, Lyn,Raw, Steven A.,Reid, Julie,Stark, Andrew,Steven, Alan

, p. 588 - 598 (2020/05/19)

Early chemical development studies into the best way of assembling AZD9742, an antibacterial drug candidate, have involved swapping the order of two reductive aminations. The orthogonally functionalized aminopiperidine partner for these couplings is now enantioselectively synthesized using ruthenium-catalyzed asymmetric hydrogenation. The challenge of controlling defluorination through an appropriate catalyst choice has hitherto prevented this revised sequence from reaching its full potential. However, it is still shown to allow access to the active pharmaceutical ingredient in a stereochemically pure form and has been demonstrated on a multikilogram scale. The reductive aminations in both the original and revised sequences provided different scale-up challenges, and the solutions implemented are described.

CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE

-

Paragraph 001646; 001648, (2018/07/29)

Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with the enzyme ceramide galactosyltransferase (CGT), such as, for example, lysosomal storage diseases. Examples of lysosomal storage diseases include, for example, Krabbe disease and Metachromatic Leukodystrophy.

FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS

-

, (2017/03/28)

The present invention relates to compound of formula (I), or stereoisomers and pharmaceutically acceptable salts as muscarinic M1 receptor positive allosteric modulators. This invention also relates to methods of making such compounds and pharmaceutical compositions comprising such compounds. The compounds of this invention are useful in the treatment of various disorders that are related to muscarinic M1 receptor.(Formula I) (I)

7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME

-

, (2016/10/31)

Provided are 7-azaindole or 4,7-diazaindole derivatives as an IKKε (I-kappa-B kinase epsilon) and TBK1 (TANK-binding kinase 1) inhibitor. The 7-azaindole or 4,7-diazaindole derivative effectively inhibits IKKε and TBK1, and thus is useful not only as an a

SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS

-

, (2017/01/02)

The present invention provides novel spiro[cyclobutane-1,3'-indolin]-2'- derivatives of formula (I) in which Cy R1, R2, R4, L and 'm' are have the meaning given in the specification, and pharmaceutically acceptable salts thereof. The compounds of formula (I) are useful as bromodomain inhibitors in the treatment or prevention of diseases or disorders where bromodomain inhibition is desired.

COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY

-

, (2017/01/31)

The present invention provides novel compounds of Formula (I) and Formula (II) and pharmaceutically acceptable salts, solvates, hydrates, tautomers, stereoisomers, isotopically labeled derivatives, and compositions thereof. Also provided are methods and kits involving the compounds or compositions for treating or preventing proliferative diseases, e.g., cancers (e.g., breast cancer, prostate cancer, lymphoma, lung cancer, pancreatic cancer, ovarian cancer, neuroblastoma, or colorectal cancer), benign neoplasms, angio genesis, inflammatory diseases, fibrosis (e.g., polycystic kidney disease), autoinflammatory diseases, and autoimmune diseases in a subject.

COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF MEK

-

, (2015/02/25)

The present invention relates to compounds of formula I: in which n, R1, R2, R3a, R4 and R5 are defined in the Summary of the Invention; capable of inhibiting the activity of MEK. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds and compositions in the management of hyperproliferative diseases like cancer.

COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF MEK

-

, (2015/02/25)

The present invention relates to compounds of formula I in which n, R1, R2, R3a, R4 and R5 are defined in the Summary of the Invention; capable of inhibiting the activity of MEK. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds and compositions in the management of hyperproliferative diseases like cancer.

Synthesis and evaluation of novel 1H-pyrrolo[2,3-b]pyridine-5-carboxamide derivatives as potent and orally efficacious immunomodulators targeting JAK3

Nakajima, Yutaka,Inoue, Takayuki,Nakai, Kazuo,Mukoyoshi, Koichiro,Hamaguchi, Hisao,Hatanaka, Keiko,Sasaki, Hiroshi,Tanaka, Akira,Takahashi, Fumie,Kunikawa, Shigeki,Usuda, Hiroyuki,Moritomo, Ayako,Higashi, Yasuyuki,Inami, Masamichi,Shirakami, Shohei

, p. 4871 - 4883 (2015/08/03)

Janus kinases (JAKs) regulate various inflammatory and immune responses and are targets for the treatment of inflammatory and immune diseases. As a novel class of immunomodulators targeting JAK3, 1H-pyrrolo[2,3-b]pyridine-5-carboxamide derivatives are promising candidates for treating such diseases. In chemical modification of lead compound 2, the substitution of a cycloalkyl ring for an N-cyanopyridylpiperidine in C4-position was effective for increasing JAK3 inhibitory activity. In addition, modulation of physical properties such as molecular lipophilicity and basicity was important for reducing human ether-a-go-go-related gene (hERG) inhibitory activity. Our optimization study gave compound 31, which exhibited potent JAK3 inhibitory activity as well as weak hERG inhibitory activity. In cellular assay, 31 exhibited potent immunomodulating effect on IL-2-stimulated T cell proliferation. In a pharmacokinetic study, good metabolic stability and oral bioavailability of 31 were achieved in rats, dogs, and monkeys. Further, 31 prolonged graft survival in an in vivo rat heterotopic cardiac transplant model.

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