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1-Boc-3-fluoropyrrolidine is a chemical compound derived from pyrrolidine, a heterocyclic organic compound. The "Boc" in its name refers to the tert-butoxycarbonyl group, a protective group used in organic chemistry to shield amines from unwanted reactions. The incorporation of a fluorine atom into the pyrrolidine ring endows the compound with distinct chemical and biological properties, rendering it a valuable asset in drug discovery and development. Its unique structure and attributes make 1-Boc-3-fluoropyrrolidine a significant tool in medicinal and synthetic chemistry.

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  • 518063-52-0 Structure
  • Basic information

    1. Product Name: 1-Boc-3-fluoropyrrolidine
    2. Synonyms: tert-butyl 3-fluoropyrrolidine-1-carboxylate;3-Fluoro-1-pyrrolidinecarboxylic acid tert-butyl ester;N-tert-Butoxycarbonyl-3-fluoropyrrolidine
    3. CAS NO:518063-52-0
    4. Molecular Formula: C9H16FNO2
    5. Molecular Weight: 189.2272432
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 518063-52-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 230℃
    3. Flash Point: 93℃
    4. Appearance: /
    5. Density: 1.08
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-Boc-3-fluoropyrrolidine(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-Boc-3-fluoropyrrolidine(518063-52-0)
    11. EPA Substance Registry System: 1-Boc-3-fluoropyrrolidine(518063-52-0)
  • 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: 518063-52-0(Hazardous Substances Data)

518063-52-0 Usage

Uses

Used in Organic Synthesis:
1-Boc-3-fluoropyrrolidine is utilized as a building block in the synthesis of various drug candidates and other biologically active molecules. Its unique structure and properties make it a valuable tool in the creation of new compounds with potential therapeutic applications.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 1-Boc-3-fluoropyrrolidine is employed as a key intermediate in the development of novel drugs. Its protective Boc group and the presence of a fluorine atom allow for the exploration of new chemical space and the optimization of drug candidates for improved potency, selectivity, and pharmacokinetic properties.
Used in Medicinal Chemistry:
1-Boc-3-fluoropyrrolidine serves as a versatile starting material in medicinal chemistry, enabling the design and synthesis of molecules with specific biological activities. Its unique structural features facilitate the development of compounds that can modulate biological targets, potentially leading to the discovery of new therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 518063-52-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,1,8,0,6 and 3 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 518063-52:
(8*5)+(7*1)+(6*8)+(5*0)+(4*6)+(3*3)+(2*5)+(1*2)=140
140 % 10 = 0
So 518063-52-0 is a valid CAS Registry Number.

518063-52-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 3-fluoropyrrolidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names 1-Boc-3-fluoropyrrolidine

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:518063-52-0 SDS

518063-52-0Relevant articles and documents

IONIC LIQUID ELECTROLYTE FOR LITHIUM-ION BATTERIES

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Paragraph 0119; 0121-0122, (2021/06/25)

The ionic liquids disclosed herein are salts comprising a nitrogen or phosphorus such as a quaternary ammonium ion, a quaternary phosphonium ion, or an N-alkylated nitrogen heterocycle, and which include at least one functional substituent, e.g., a fluoro, cyano, carbonate ester, an alkenyl group, or an alkynyl group bonded to a carbon atom the cation. In a preferred embodiment, the cation is represented by the structure of Formula (I) as described herein.

Halogen-substituted latrotinib compound

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, (2021/02/10)

The invention relates to a halogen-substituted latrotinib compound. The halogen-substituted latrotinib compound comprises a latrotinib bisulfate compound labeled by a radioactive halogen atom or a non-radioactive halogen atom. The compound comprises a (R,

A fluorine-substituted pyrrolidinium-based ionic liquid for high-voltage Li-ion batteries

Dzwiniel, Trevor L.,Hsu, Chia-Wei,Liu, Qian,Pupek, Krzysztof Z.,Zhang, Zhengcheng

supporting information, p. 7317 - 7320 (2020/07/14)

A fluorine-substituted ionic liquid based on a pyrrolidinium cation and a bis(fluorosulfonyl)imide anion was synthesized using a facile one-step reaction. The resulting ionic liquid is highly pure and when dissolved with LiFSI, the IL-based electrolyte sh

KRAS G12C INHIBITORS

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Paragraph 0247, (2020/03/23)

The present invention relates to compounds that, inhibit KRas G12C, In particular, the present invention relates to compounds that irreversibly inhibit the activity of KRas G12C, pharmaceutical compositions comprising the compounds and methods of use therefor.

KRAS G12C INHIBITORS

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Paragraph 0243, (2020/07/25)

The present invention relates to compounds that inhibit KRas G12C. In particular, the present invention relates to compounds that irreversibly inhibit the activity of KRas G12C, pharmaceutical compositions comprising the compounds and methods of use therefor.

Diverse functionalization of strong alkyl C–H bonds by undirected borylation

Oeschger, Raphael,Su, Bo,Yu, Isaac,Ehinger, Christian,Romero, Erik,He, Sam,Hartwig, John

, p. 736 - 741 (2020/06/27)

The selective functionalization of strong, typically inert carbon-hydrogen (C–H) bonds in organic molecules is changing synthetic chemistry. However, the undirected functionalization of primary C–H bonds without competing functionalization of secondary C–H bonds is rare. The borylation of alkyl C–H bonds has occurred previously with this selectivity, but slow rates required the substrate to be the solvent or in large excess. We report an iridium catalyst ligated by 2-methylphenanthroline with activity that enables, with the substrate as limiting reagent, undirected borylation of primary C–H bonds and, when primary C–H bonds are absent or blocked, borylation of strong secondary C–H bonds. Reactions at the resulting carbon-boron bond show how these borylations can lead to the installation of a wide range of carbon-carbon and carbon-heteroatom bonds at previously inaccessible positions of organic molecules.

KRAS G12C INHIBITORS

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Paragraph 0347-0348, (2019/05/24)

The present invention relates to compounds that inhibit KRas G12C. In particular, the present invention relates to compounds that irreversibly inhibit the activity of KRas G12C, pharmaceutical compositions comprising the compounds and methods of use therefor.

Open-Shell Fluorination of Alkyl Bromides: Unexpected Selectivity in a Silyl Radical-Mediated Chain Process

Lovett, Gabrielle H.,Chen, Shuming,Xue, Xiao-Song,Houk,MacMillan, David W. C.

, p. 20031 - 20036 (2019/12/27)

We disclose a novel radical strategy for the fluorination of alkyl bromides via the merger of silyl radical-mediated halogen-atom abstraction and benzophenone photosensitization. Selectivity for halogen-atom abstraction from alkyl bromides is observed in the presence of an electrophilic fluorinating reagent containing a weak N-F bond despite the predicted favorability for Si-F bond formation. To probe this surprising selectivity, preliminary mechanistic and computational studies were conducted, revealing that a radical chain mechanism is operative in which kinetic selectivity for Si-Br abstraction dominates due to a combination of polar effects and halogen-atom polarizability in the transition state. This transition-metal-free fluorination protocol tolerates a broad range of functional groups, including alcohols, ketones, and aldehydes, which demonstrates the complementary nature of this strategy to existing fluorination technologies. This system has been extended to the generation of gem-difluorinated motifs which are commonly found in medicinal agents and agrochemicals.

Neurotrophic factor tyrosine kinase receptor inhibitor

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Paragraph 0602-0606, (2018/05/30)

The invention provides a neurotrophic factor tyrosine kinase receptor inhibitor. The tyrosine kinase receptor inhibitor provided by the invention has a tricyclic parent core structure, can inhibit theactivity of Trk kinase and can be used for treating mammalian diseases mediated by the Trk kinase.

KRAS G12C INHIBITORS

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Paragraph 0209, (2017/12/18)

The present invention relates to compounds that inhibit KRas G12C. In particular, the present invention relates to compounds that irreversibly inhibit the activity of KRas G12C, pharmaceutical compositions comprising the compounds and methods of use therefor.

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