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1-(2-bromoethyl)pyrrolidin-2-one, also known as 2-Bromomethyl-2-pyrrolidinone, is a heterocyclic chemical compound with the molecular formula C6H9BrNO. It features a five-membered ring structure with a bromoethyl substituent, making it a versatile building block in organic synthesis for the preparation of pharmaceuticals, agrochemicals, chiral auxiliary agents, and ligands for asymmetric catalysis.

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  • 117018-99-2 Structure
  • Basic information

    1. Product Name: 1-(2-bromoethyl)pyrrolidin-2-one
    2. Synonyms: 1-(2-bromoethyl)pyrrolidin-2-one;2-pyrrolidinone, 1-(2-bromoethyl)-;1-(2-bromoethyl)-2-pyrrolidinone(SALTDATA: FREE);1-(2-bromoethyl)-2-pyrrolidinone
    3. CAS NO:117018-99-2
    4. Molecular Formula: C6H10BrNO
    5. Molecular Weight: 192.0537
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 117018-99-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 278.6 °C at 760 mmHg
    3. Flash Point: 122.3 °C
    4. Appearance: /
    5. Density: 1.511 g/cm3
    6. Vapor Pressure: 0.00423mmHg at 25°C
    7. Refractive Index: 1.529
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: -0.67±0.20(Predicted)
    11. CAS DataBase Reference: 1-(2-bromoethyl)pyrrolidin-2-one(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-(2-bromoethyl)pyrrolidin-2-one(117018-99-2)
    13. EPA Substance Registry System: 1-(2-bromoethyl)pyrrolidin-2-one(117018-99-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 36
    3. Safety Statements: 26
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 117018-99-2(Hazardous Substances Data)

117018-99-2 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
1-(2-bromoethyl)pyrrolidin-2-one is used as a key intermediate in the synthesis of various pharmaceuticals and agrochemicals due to its unique structure and reactivity, contributing to the development of new drugs and pesticides.
Used in Asymmetric Catalysis:
1-(2-bromoethyl)pyrrolidin-2-one serves as a precursor for the synthesis of chiral auxiliary agents and ligands, which are essential in asymmetric catalysis to achieve enantioselective reactions, leading to the production of enantiomerically pure compounds.
Used in Material Science:
Due to its unique structure and reactivity, 1-(2-bromoethyl)pyrrolidin-2-one has potential applications in the development of new materials and chemical processes, expanding its utility beyond traditional organic synthesis.
Safety Consideration:
It is important to handle 1-(2-bromoethyl)pyrrolidin-2-one with caution, as it is a potentially hazardous chemical. Proper safety measures should be taken during its synthesis, storage, and use to minimize risks associated with its reactivity and potential toxicity.

Check Digit Verification of cas no

The CAS Registry Mumber 117018-99-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,0,1 and 8 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 117018-99:
(8*1)+(7*1)+(6*7)+(5*0)+(4*1)+(3*8)+(2*9)+(1*9)=112
112 % 10 = 2
So 117018-99-2 is a valid CAS Registry Number.
InChI:InChI=1/C6H10BrNO/c7-3-5-8-4-1-2-6(8)9/h1-5H2

117018-99-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(2-Bromoethyl)pyrrolidin-2-one

1.2 Other means of identification

Product number -
Other names 1-(2-bromoethyl)-2-pyrrolidinone

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:117018-99-2 SDS

117018-99-2Relevant articles and documents

PH-responsive surface activity and solubilization with novel pyrrolidone-based gemini surfactants

Jiang, Zan,Li, Xuefeng,Yang, Guangfu,Cheng, Li,Cai, Bo,Yang, Yi,Dong, Jinfeng

, p. 7174 - 7181 (2012)

A new series of pH-responsive Gemini surfactants with 2-pyrrolidone head groups, N,N′-dialkyl-N,N′-di(ethyl-2-pyrrolidone)ethylenediamine (Di-CnP, where n = 6, 8 10, 12), were synthesized and characterized by 1H NMR, 13C NMR, ESI-MS, and elemental analysis. The surface activity and micellization behavior at acidic, neutral, and basic conditions were characterized by equilibrium surface tension and fluorescence techniques. It was found that the surface activity of Di-CnP depends on the pH of aqueous solutions due to the protonation state of surfactant molecules when pH was varied. The new compounds have lower cmc and γcmc in comparison with that of m-2-m type conventional cationic Gemini surfactants and gluconamide-type nonionic Gemini surfactants. Fluorescence data confirm that micelles are formed when the concentration is above the cmc. Since micellization is of fundamental importance in surfactant applications such as solubilization, microemulsion, and related technologies, the significant difference in cmc at different pH of this new Gemini surfactant is employed to solubilize cyclohexane. The preliminary result indeed shows that the solubilization capacity of Di-CnP can be tuned by pH.

ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS

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Paragraph 0717, (2016/08/10)

The disclosure provides compounds and pharmaceutical compositions of aryloxyacetylindoles compounds and analogs useful for treating chronic and acute bacterial infections. Certain of the compounds are compounds of general Formula (I) (I) or a pharmaceutically acceptable salt or prodrug thereof. Certain compounds of this disclosure are MvfR inhibitors. MvfR inhibitors reduce the formation of antibiotic tolerant bacterial strains and are useful for treating Gram-negative bacterial infections and reducing the virulence of Pseudomonas aeruginosa. Methods of treating bacterial infections in a subject, including Pseudomonas aeruginosa infections, are also provided by the disclosure.

BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES

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Page/Page column 81-82, (2009/12/23)

The invention provides bioactive compounds for the treatment of various malconditions such as cancer and neurodegenerative diseases including Alzheimer's disease. The chemical compounds as disclosed herein are found to show bioactivity in bioassays related to these conditions. Pharmaceutical compositions, combinations and methods of synthesis are provided, as are methods of using the compound, compositions and combinations in the treatment of the diseases.

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