61413-70-5

Basic information

• Product Name: Octanoic acid, chloromethyl ester
• Synonyms: octanoyloxymethyl chloride;chloromethyl n-octanoate;Octanoic acid,chloromethyl ester;n-Octanoyloxymethylchloride;3-octanoyloxymethyl chloride
• CAS NO: 61413-70-5
• Molecular Formula: C9H17ClO2
• Molecular Weight: 192.686
• Mol File: 61413-70-5.mol
• Article Data: 19

Chemical Properties

• CAS DataBase Reference: Octanoic acid, chloromethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Octanoic acid, chloromethyl ester(61413-70-5)
• EPA Substance Registry System: Octanoic acid, chloromethyl ester(61413-70-5)

Safety Data

• Hazardous Substances Data: 61413-70-5(Hazardous Substances Data)

Upstream product

• 50-00-0 formaldehyd 
• 124-07-2 Octanoic acid 
• 110-88-3 1,3,5-Trioxan 
• 111-64-8 n-octanoic acid chloride 
• 111-11-5 methyl octanate 
• 3518-65-8 monochloromethanesulfonyl chloride 
• 49715-04-0 chlorosulfuric acid chloromethyl ester 

Relevant articles and documents

PRODRUGS OF CGRP ANTAGONISTS

Disclosed are prodrugs of CGRP antagonists, methods of treating CGRP related disorders, e.g., migraine, by administering to a patient in need thereof the prodrugs, pharmaceutical compositions comprising prodrugs and kits including the pharmaceutical compositions and instructions for use.

COMPOUNDS WITH HIV MATURATION INHIBITORY ACTIVITY

The present invention relates to compound of Formula I or a pharmaceutically acceptable salt thereof (Formula I) wherein R1 is Formula (AA) or Formula (BB) where the squiggly line indicates the point of attachment to the rest of the molecule; R2 is F or Formula (CC) where the squiggly line indicates the point of attachment to the rest of the molecule; R3 is H or CH3; Z is O or is absent; and R4 is -OC1-3alkyl, C1-30alkyl, or -N(CH3)2.

Prodrugs of pioglitazone for extended-release (XR) injectable formulations

N-Acyloxymethyl derivatives of pioglitazone (PIO) have been prepared and characterized as model candidates for extended-release injectable formulations. All PIO derivatives prepared are crystalline solids as determined by powder X-ray diffraction, and the solubility in aqueous media is below 1 μM at 37 °C. The melting points steadily increase from 55 °C, for the hexanoyloxymethyl derivative, to 85 °C, for the palmitoyloxymethyl derivative; inversely, the solubilities in ethyl oleate decrease as a function of increasing acyl chain length. The butyroyloxymethyl ester has a higher melting point and a lower solubility in ethyl oleate than expected from the trend. The 13C solid-state NMR spectra of the PIO homologues between the hexanoyloxymethyl derivative and stearoyloxymethyl derivative suggest a common structural motif with the acyl chains exchanging between two distinct conformations, and the rate of exchange is slower for longer chain derivatives. The butyroyloxymethyl derivative is efficiently converted to PIO in in vitro rat plasma with a half-life of o C, while the rate of enzymatic cleavage in rat plasma decreases as the ester chain length increases for the longer acyloxymethyl derivatives. The concentration of PIO in plasma increases rapidly, or "spikes," in the hours following intramuscular (IM) injection of either the HCl salt or the butyroyloxymethyl derivative. In contrast, the more lipophilic palmitoyloxymethyl derivative provides slow growth in the PIO concentration over the first day to reach levels that remain steady for 2 weeks. On the basis of its in vivo pharmacokinetic profile, as well as material and solubility properties, the PIO palmitoyloxymethyl derivative has potential as a once-monthly injectable medication to treat diabetes.