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BOC-3-FLUORO-4-OXOPYRROLIDINE, also known as 1-Boc-3-fluoro-4-pyrrolidinone, is an organic compound that serves as a crucial intermediate in the synthesis of various substances. It is characterized by its unique molecular structure, which includes a fluorinated pyrrolidinone core protected by a tert-butyloxycarbonyl (Boc) group. This structure endows it with specific reactivity and stability, making it a valuable building block in the chemical industry.

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  • 845894-03-3 Structure
  • Basic information

    1. Product Name: BOC-3-FLUORO-4-OXOPYRROLIDINE
    2. Synonyms: N-T-BOC-3-FLUORO-4-OXOPYRROLIDINE;BOC-3-FLUORO-4-OXOPYRROLIDINE;1-Boc-3-fluoro-4-pyrrolidinone;tert-Butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate;3-fluoro-4-oxopyrrolidine-1-carboxylic acid tert-butyl ester;4-Fluoropyrrolidin-3-one,N-BOCprotected
    3. CAS NO:845894-03-3
    4. Molecular Formula: C9H14FNO3
    5. Molecular Weight: 203.21
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 845894-03-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 269.6 ºC at 760 mmHg
    3. Flash Point: 116.9 ºC
    4. Appearance: white solid
    5. Density: 1.18 g/cm3
    6. Vapor Pressure: 0.00717mmHg at 25°C
    7. Refractive Index: 1.465
    8. Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
    9. Solubility: N/A
    10. Water Solubility: Slightly soluble in water.
    11. CAS DataBase Reference: BOC-3-FLUORO-4-OXOPYRROLIDINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: BOC-3-FLUORO-4-OXOPYRROLIDINE(845894-03-3)
    13. EPA Substance Registry System: BOC-3-FLUORO-4-OXOPYRROLIDINE(845894-03-3)
  • 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: 845894-03-3(Hazardous Substances Data)

845894-03-3 Usage

Uses

Used in Pharmaceutical Industry:
BOC-3-FLUORO-4-OXOPYRROLIDINE is used as a synthetic intermediate for the development of various pharmaceuticals. Its unique structure allows for the creation of novel drug candidates with potential therapeutic applications, such as antibiotics, anti-inflammatory agents, and central nervous system (CNS) drugs. The Boc group provides protection to the molecule during synthesis, ensuring that the desired product is obtained with minimal side reactions.
Used in Agrochemical Industry:
In the agrochemical sector, BOC-3-FLUORO-4-OXOPYRROLIDINE is utilized as a key intermediate in the synthesis of new pesticides and herbicides. Its incorporation into these compounds can lead to enhanced efficacy, selectivity, and environmental compatibility. The fluorinated pyrrolidinone core may impart unique properties to the final agrochemical products, such as improved solubility, stability, and bioavailability.
Used in Dye Industry:
BOC-3-FLUORO-4-OXOPYRROLIDINE is also employed as an intermediate in the production of various dyes and pigments. Its unique structure can contribute to the development of novel dyes with superior colorfastness, brightness, and resistance to fading. The Boc-protected pyrrolidinone core may also facilitate the synthesis of dyes with specific binding properties, making them suitable for various applications, such as textiles, plastics, and printing inks.

Check Digit Verification of cas no

The CAS Registry Mumber 845894-03-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,4,5,8,9 and 4 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 845894-03:
(8*8)+(7*4)+(6*5)+(5*8)+(4*9)+(3*4)+(2*0)+(1*3)=213
213 % 10 = 3
So 845894-03-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H14FNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6H,4-5H2,1-3H3

845894-03-3 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (H27082)  1-Boc-3-fluoro-4-pyrrolidinone   

  • 845894-03-3

  • 250mg

  • 3156.0CNY

  • Detail
  • Alfa Aesar

  • (H27082)  1-Boc-3-fluoro-4-pyrrolidinone   

  • 845894-03-3

  • 1g

  • 8095.0CNY

  • Detail

845894-03-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Boc-3-fluoro-4-pyrrolidinone

1.2 Other means of identification

Product number -
Other names tert-butyl 3-fluoro-4-oxopyrrolidine-1-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:845894-03-3 SDS

845894-03-3Relevant articles and documents

Mitotic kinesin inhibitors

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Page/Page column 35-36, (2010/11/25)

The present invention relates to dihydropyrrole compounds that are useful for treating cellular proliferative diseases, for treating disorders associated with KSP kinesin activity, and for inhibiting KSP kinesin. The invention is also related to compositions which comprise these compounds, and methods of using them to treat cancer in mammals.

1-(HETERO)ARYL-3-AMINO-PYROLLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS

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Page/Page column 15, (2010/11/08)

The present invention relates to compounds of the Formula (I) which are useful for treating conditions associated with mGluR3 receptors, such as depression, schizophrenia and migraine, pharmaceutical compositions thereof, and methods of using the same.

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