72479-05-1

Basic information

• Product Name: (S)-5-(BROMOMETHYL)-2-PYRROLIDINONE
• Synonyms: (S)-5-(BROMOMETHYL)-2-PYRROLIDINONE;(S)-5-(BROMOMETHYL)-2-PYRROLIDONE;2-Pyrrolidinone,5-(bromomethyl)-,(5S)-(9CI);(S)-5-BROMOMETHYL-2-OXOPYRROLIDINE;2-Pyrrolidinone, 5-(bromomethyl)-, (5S)-;(5S)-5β-(Bromomethyl)pyrrolidine-2-one;[S,(-)]-5β-(Bromomethyl)pyrrolidine-2-one;5β-(Bromomethyl)pyrrolidine-2-one
• CAS NO: 72479-05-1
• Molecular Formula: C₅H₈BrNO
• Molecular Weight: 178.03
• Product Categories: HALOMETYL;pharmacetical
• Mol File: 72479-05-1.mol
• Article Data: 9

Chemical Properties

• Melting Point: 75-79°C
• Boiling Point: 336.1 °C at 760 mmHg
• Flash Point: 157.1 °C
• Appearance: /
• Density: 1.541 g/cm³
• Vapor Pressure: 0.000115mmHg at 25°C
• Refractive Index: 1.506
• Storage Temp.: 2-8°C
• PKA: 15.39±0.40(Predicted)
• CAS DataBase Reference: (S)-5-(BROMOMETHYL)-2-PYRROLIDINONE(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-5-(BROMOMETHYL)-2-PYRROLIDINONE(72479-05-1)
• EPA Substance Registry System: (S)-5-(BROMOMETHYL)-2-PYRROLIDINONE(72479-05-1)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-43-36-22
• Safety Statements: 26-36/37/39-36/37
• WGK Germany: 3
• Hazardous Substances Data: 72479-05-1(Hazardous Substances Data)

Usage

Chemical Properties

White to tan powder

InChI:InChI=1/C5H8BrNO/c6-3-4-1-2-5(8)7-4/h4H,1-3H2,(H,7,8)/t4-/m0/s1

Upstream product

• 4931-66-2 methyl (S)-pyroglutamate 
• 98-79-3 L-Pyroglutamic acid 
• 51693-17-5 (S)-toluene-4-sulfonic acid 5-oxo-pyrrolidin-2-ylmethyl ester 
• 7149-65-7 ethyl (S)-pyroglutamate 
• 17342-08-4 (S)-Pyroglutaminol 
• 56-86-0 L-glutamic acid 

Downstream Products

• 72479-06-2 2-[(2S)-5-oxopyrrolidin-2-yl]acetonitrile 
• 1038924-61-6 (S)-5-biphenyl-4-ylmethylpyrrolidin-2-one 
• 1338787-34-0 (4S)-4-amino-5-(propylthio)pentanal O-benzyloxime 
• 123993-05-5 methyl (R)-4-amino>pentanoate 
• 124020-64-0 methyl (R)-4-<α-<<6-<amino>ethyl>-N-<(o-nitrophenyl)thio>amino>methyl>-4-methoxy-2-pyridinyl>carbonyl>-erythro-β-tert-butoxy-L-histydyl>amino>pentanoate 
• 123993-14-6 (R)-4-<α-<<6-<amino>ethyl>-N-<(o-nitrophenyl)thio>amino>methyl>-4-methoxy-2-pyridinyl>carbonyl>-erythro-β-tert-butoxy-L-histydyl>amino>pentanoic acid 
• 123993-13-5 methyl (R)-4-<α-(benzyloxycarbonyl)-erythro-β-tert-butoxy-L-histidyl>amino>pentanoate 
• 123993-12-4 methyl (R)-4-<α-(benzyloxycarbonyl)-erythro-β-hydroxy-L-histidyl>amino>pentanoate 
• 120791-01-7 (R)-3-Oxo-6-(3-oxo-cyclohex-1-enylamino)-undecanoic acid tert-butyl ester 
• 120791-02-8 2,2-Dimethyl-6-[(R)-3-(3-oxo-cyclohex-1-enylamino)-octyl]-[1,3]dioxin-4-one 
• 120791-00-6 (R)-4-(3-Oxo-cyclohex-1-enylamino)-nonanoic acid methyl ester 
• 145351-57-1 (S)-5-<(3-bromo-2,6-dimethoxybenzamido)methyl>-2-pyrrolidone 
• 145414-31-9 (S)-5-aminomethyl-2-pyrrolidone 
• 118173-34-5 (3R)-(4-phenoxybutyl)-3-methylindolizidine 

Relevant articles and documents

Anti-inflammatory agents

Disclosed are novel compounds that are useful in regulating the expression of interleukin-6 (IL-6) and/or vascular cell adhesion molecule-1 (VCAM-1), and their use in the treatment and/or prevention of cardiovascular and inflammatory diseases and related disease states, such as, for example, atherosclerosis, asthma, arthritis, cancer, multiple sclerosis, psoriasis, and inflammatory bowel diseases, and autoimmune disease(s). Also, disclosed are compositions comprising the novel compounds, as well as methods for their preparation.

The fluorine-NHC gauche effect: A structural and computational study

Herein, we report the synthesis and X-ray structural analysis of a collection of fluorinated metal N-heterocyclic carbenes (Ag, Au, Pd, Rh, Ir) and their precursor salts. The common structural feature of these species is a flanking fluoroethyl group, which is either freely rotating or embedded within a bicyclic framework. Solid state analysis confirmed a gauche conformational preference in all cases with the fluorine adopting a syn clinal arrangement (φ[NCCF]～60°) with respect to the triazolium nitrogen at the vicinal position of the NHC. A density functional theory analysis was employed to quantify these effects and evaluate the influence of electronic modulation of the carbenic carbon [(CN+); neutral carbene (C:); metal-bound carbene (CM)], on the relative gauche/anti preference, thus highlighting the potential of this conformational phenomenon as a useful molecular design strategy for controlling the topology of organometallic complexes.

TETRACYCLINE ANALOGS

The present invention is directed to a compound represented by Structural Formula (I), or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I) and its therapeutic use.