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1-Boc-3-fluoropyrrolidine, also known as N-tert-butoxycarbonyl-3-fluoropyrrolidine, is a versatile chemical compound belonging to the class of pyrrolidines. It is widely used in organic synthesis, medicinal chemistry, and material science due to its unique structure and properties. The "1-Boc" group in its name indicates the presence of a tert-butoxycarbonyl protecting group, which is commonly used to protect amines during organic synthesis. The incorporation of a fluorine substituent in the pyrrolidine ring enhances the compound's utility in pharmaceutical research, as fluorine substitution can significantly influence the pharmacokinetic and pharmacodynamic properties of drug molecules. To ensure stability, 1-Boc-3-fluoropyrrolidine should be handled and stored in a cool, dry environment, away from direct sunlight and heat sources.

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  • 1228765-06-7 Structure
  • Basic information

    1. Product Name: 1-Boc-3-fluoropyrrolidine...
    2. Synonyms: 1-Boc-3-fluoropyrrolidine-3-MethylaMine;Tert-butyl-3-(aminomethyl)-3-fluoropyrrolidine-1-carboxylate;1-Boc-3-fluoropyrrolidine-3-methanamine
    3. CAS NO:1228765-06-7
    4. Molecular Formula: C9H16FNO2
    5. Molecular Weight: 189.2272432
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1228765-06-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C(protect from light)
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-Boc-3-fluoropyrrolidine...(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-Boc-3-fluoropyrrolidine...(1228765-06-7)
    11. EPA Substance Registry System: 1-Boc-3-fluoropyrrolidine...(1228765-06-7)
  • 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: 1228765-06-7(Hazardous Substances Data)

1228765-06-7 Usage

Uses

Used in Pharmaceutical Industry:
1-Boc-3-fluoropyrrolidine is used as an intermediate in the synthesis of various pharmaceuticals for its ability to protect amines and facilitate the introduction of fluorine-containing functional groups. The fluorine substitution can improve the drug's metabolic stability, lipophilicity, and overall pharmacological profile, leading to enhanced therapeutic efficacy.
Used in Agrochemical Industry:
1-Boc-3-fluoropyrrolidine is employed as a key intermediate in the preparation of agrochemicals, such as pesticides and herbicides. The introduction of fluorine atoms can enhance the bioactivity, selectivity, and environmental persistence of these compounds, making them more effective in controlling pests and weeds.
Used in Organic Synthesis:
As a versatile building block, 1-Boc-3-fluoropyrrolidine is utilized in the synthesis of a wide range of organic compounds, including complex natural products, pharmaceuticals, and specialty chemicals. The Boc protecting group allows for selective amine protection, enabling the synthesis of amines with multiple functional groups.
Used in Material Science:
1-Boc-3-fluoropyrrolidine can be incorporated into the design and synthesis of novel materials with unique properties, such as fluorine-containing polymers, which exhibit improved thermal stability, chemical resistance, and other desirable characteristics for various applications in material science.

Check Digit Verification of cas no

The CAS Registry Mumber 1228765-06-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,2,8,7,6 and 5 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1228765-06:
(9*1)+(8*2)+(7*2)+(6*8)+(5*7)+(4*6)+(3*5)+(2*0)+(1*6)=167
167 % 10 = 7
So 1228765-06-7 is a valid CAS Registry Number.

1228765-06-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 3-(aminomethyl)-3-fluoropyrrolidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names 1-BOC-3-FLUOROPYRROLIDINE-3-METHYLAMINE

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:1228765-06-7 SDS

1228765-06-7Relevant articles and documents

Synthesis of aminomethylated 4-fluoropiperidines and 3-fluoropyrrolidines

Verniest, Guido,Piron, Karel,Van Hende, Eva,Thuring, Jan Willem,MacDonald, Gregor,Deroose, Frederik,De Kimpe, Norbert

, p. 2509 - 2512 (2010)

A short and efficient synthesis of 4-aminomethyl-4-fluoropiperidines and 3-aminomethyl-3-fluoropyrrolidines is described. These fluorinated azaheterocycles are of specific interest as bifunctional building blocks for fluorinated pharmaceutical compounds.

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