Home > Name List By e > Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a,8a)-

CAS No 511-10-4 , Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a,8a)-

  • Name: Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a,8a)-
  • Synonyms: Isoergokryptine; a-Ergokryptinine; Indolo[4,3-fg]quinoline,ergotaman-3',6',18-trione deriv.; Ergokryptinine; 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine,ergotaman-3',6',18-trione deriv.;Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a,8a)-; a-Ergocryptinine;Ergocryptinine(6CI,7CI,8CI);
  • CAS Registry Number:
  • Transport: 1544
  • Flash Point: 475°C
  • Boiling Point: 861.7°Cat760mmHg
  • Density: 1.38g/cm3
  • Refractive index: 1.68
  • Flash Point: 475°C
  • EINECS: 208-122-8
  • Molecular Weight: 575.69844
  • InChI: InChI=1/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25-,26+,31-,32+/m1/s1
  • Molecular Formula: C32H41 N5 O5
  • Molecular Structure:CAS No:511-10-4 Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a,8a)-

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References of Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a,8a)-
Title: Ergocryptinine
CAS Registry Number: 511-10-4
Synonyms: Ergokryptinine
Molecular Formula: C32H41N5O5
Molecular Weight: 575.70
Percent Composition: C 66.76%, H 7.18%, N 12.16%, O 13.90%
Literature References: Alkaloid pair isomeric with a- and b-ergocryptine, resp., but differing by an a-configuration at C-8. The literature prior to 1967 refers to a-ergocryptinine as ergocryptinine. Isolation, structure, separation and purification see ergocryptine. Production: Abe et al., US 2835675 (1958). Prepn of b-ergocryptinine from b-ergocryptine: Schlientz et al., Experientia 23, 991 (1967). Synthesis of a- and b-ergocryptinin: Stadler et al., Helv. Chim. Acta 52, 1549 (1969).
 
Derivative Type: a-Ergocryptinine
Synonyms: 12￠-Hydroxy-2￠-(1-methylethyl)-5￠a-(2-methylpropyl)-8a-ergotaman-3￠,6￠,18-trione
Properties: Crystallizes solvent-free, unlike ergocryptine which tends to retain the solvent of crystn. Fine needles from methanol, dec 240-242°. [a]D20 +408° (chloroform); +485° (c = 0.5 in pyridine). uv max (methanol): 241.5, 312.5 nm (log e 4.30, 3.94). Sol in 20 parts boiling ethanol, 50 parts boiling methanol; freely sol in acetone, chloroform; almost insol in water. Does not seem to form salts.
Optical Rotation: [a]D20 +408° (chloroform); +485° (c = 0.5 in pyridine)
Absorption maximum: uv max (methanol): 241.5, 312.5 nm (log e 4.30, 3.94)
 
Derivative Type: b-Ergocryptinine
Properties: Colorless needles from methylene chloride-methanol, mp 217-218° (dec). [a]D20 +421° (chloroform); +497° (pyridine). uv max (methanol): 240.5, 312 nm (log e 4.31, 3.94). Differs from the a-isomer by the 1-methylpropyl group at the 5￠-position.
Melting point: mp 217-218° (dec)
Optical Rotation: [a]D20 +421° (chloroform); +497° (pyridine)
Absorption maximum: uv max (methanol): 240.5, 312 nm (log e 4.31, 3.94)