3219-99-6

Basic information

• Product Name: epi-Doxycycline
• Synonyms: (4S,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide;6-Deoxy-6-epioxytetracycline;6-Epi Doxycycline;6-epi-Doxycycline;epi-Doxycycline;6-Epi Doxycycline, 65% (Contains Unknown Salts);Doxycycline Related Compound A (10 mg) (6-epidoxycycline);Doxycycline Related CoMpound A
• CAS NO: 3219-99-6
• Molecular Formula: C₂₂H₂₄N₂O₈
• Molecular Weight: 444.43456
• Product Categories: Chiral Reagents;Intermediates & Fine Chemicals;Pharmaceuticals;Chiral Reagents, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 3219-99-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: >200°C (dec.)
• Boiling Point: 762.575°C at 760 mmHg
• Flash Point: 414.99°C
• Appearance: /
• Density: 1.639g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.737
• Storage Temp.: Hygroscopic, -20?C Freezer, Under Inert Atmosphere
• Solubility: Methanol (Slightly)
• PKA: 4.50±1.00(Predicted)
• CAS DataBase Reference: epi-Doxycycline(CAS DataBase Reference)
• NIST Chemistry Reference: epi-Doxycycline(3219-99-6)
• EPA Substance Registry System: epi-Doxycycline(3219-99-6)

Safety Data

• Hazardous Substances Data: 3219-99-6(Hazardous Substances Data)

Usage

Chemical Properties

Dark Yellow Solid

Uses

Different sources of media describe the Uses of 3219-99-6 differently. You can refer to the following data:
1. One of the Doxycycline decomposition products.
2. One of the Doxycycline decomposition products

InChI:InChI=1/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10-,14?,15+,17+,22+/m1/s1

Upstream product

• 3963-95-9 methacycline hydrochloride 

Relevant articles and documents

Ligand effects in the hydrogenation of methacycline to doxycycline and epi-doxycycline catalysed by rhodium complexes molecular structure of the key catalyst [closo-3,3-(η2,3-c7h7ch2)-3,1,2-rhc2b9h11]

The catalytic reduction of the exocyclic methylene group of methacycline (A) leads to the formation of two diastereoisomers, doxycycline (B, the α-epimer) and 6-epi-doxycycline (C, the β-epimer), with a selectivity which markedly depends on the nature of hydrocarbon and carborane ligands of closo-(π-cyclodienyl)rhodacarborane catalysts. Neutral norbornadienyl complexes with unsubstituted carborane ligands [closo-3,3-(η2,3-C7H7CH2)-3,1,2-RhC2B9H11] (1) and [closo-2,2-(η2,3-C7H7CH2)-2,1,7-RhC2B9H11] (7) are more active and afford higher selectivity in the formation of doxycycline than those having mono-or di-substituents at the carborane cage, [closo-3,3-(cyclodienyl)-1-R-2-R′-3,1,2-RhC2B9H9] (R = H, R′ = Me, PhCH2; R = R′ = Me; cyclodienyl = η2,3-C7H7CH2 or η-C10H13) as well as those from the closely related series of η5-cyclopentadienyl complexes [(η2,3-C7H7CH2)Rh(η5-C5Rn)]+PF-6 (Rn = H5, Me5, or H2-1,2,4-Ph3). Mechanistic aspects of the hydrogenation reaction of methacycline are sketched. The results of the X-ray diffraction study of the best catalyst 1 are reported.