Home > Name List By b > Butanoic acid, 2(or3)-methyl-,(2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5...

CAS No 642-15-9 , Butanoic acid, 2(or3)-methyl-,(2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-ylester (9CI)

  • Name: Butanoic acid, 2(or3)-methyl-,(2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-ylester (9CI)
  • Synonyms: Butanoic acid, 2(or 3)-methyl-,3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-ylester, [2R-(2R*,3S*,6S*,7R*,8R*)]-;AntimycinA1 (6CI,7CI); 1,5-Dioxonane, butanoic acid deriv.;Butanoic acid, 2(or3)-methyl-,(2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-ylester (9CI);
  • CAS Registry Number:
  • Transport: 3172
  • Melting Point: 139-140 deg C
  • Flash Point: 424.2°C
  • Boiling Point: 777.8°C at 760 mmHg
  • Density: 1.22g/cm3
  • Refractive index: 1.546
  • Safety Statements: Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.
  • Hazard Symbols: T
  • Flash Point: 424.2°C
  • EINECS: 211-380-4
  • Molecular Weight: 548.62
  • InChI: InChI=1/C28H40N2O9/c1-6-7-8-9-10-21-25(38-23(33)13-17(2)3)18(4)37-24(34)15-28(5,39-27(21)36)30-26(35)20-12-11-19(29-16-31)14-22(20)32/h11-12,14,16-18,21,25,32H,6-10,13,15H2,1-5H3,(H,29,31)(H,30,35)
  • Risk Statements: 23/24/25
  • Molecular Formula: C28H40 N2 O9
  • Molecular Structure:CAS No:642-15-9 Butanoic acid, 2(or3)-methyl-,(2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-ylester (9CI)

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References of Butanoic acid, 2(or3)-methyl-,(2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-ylester (9CI)
Title: Antimycin A1
CAS Registry Number: 642-15-9
Synonyms: 3-Methylbutanoic acid 3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester; isovaleric acid 8-ester with 3-formamido-N-(7-hexyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)salicylamide
Molecular Formula: C28H40N2O9
Molecular Weight: 548.63
Percent Composition: C 61.30%, H 7.35%, N 5.11%, O 26.25%
Literature References: Antibiotic substance produced by Streptomyces spp. Isoln: Dunshee et al., J. Am. Chem. Soc. 71, 2436 (1949); Lockwood et al., Phytopathology 44, 438 (1954); US 2657170 (1953 to Wisconsin Alumni Res. Found.). Structure: van Tamelen et al., J. Am. Chem. Soc. 83, 1639 (1961); Birch et al., J. Chem. Soc. 1961, 889. Absolute config.: Kinoshita et al., J. Antibiot. 25, 373 (1972).
Properties: Crystals from ethyl acetate + Skellysolve B, mp 149-150°. [a]D26 +76° (c = 1 in chloroform). uv max (alc): 226, 320 nm (log e 4.54, 3.68). Freely sol in alc, ether, acetone, chloroform. Very slightly sol in petr ether, benzene, carbon tetrachloride. Practically insol in water and in 5% aq solns of hydrochloric acid, sodium carbonate and sodium bicarbonate. In aq sodium hydroxide a milky suspension is formed. This clears on warming, but all potency is lost.
Melting point: mp 149-150°
Optical Rotation: [a]D26 +76° (c = 1 in chloroform)
Absorption maximum: uv max (alc): 226, 320 nm (log e 4.54, 3.68)
Use: Experimentally as fungicide, insecticide, miticide.