60504-95-2

Basic information

• Product Name: N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-dioxo-7-butyl-8-hydroxy-1,5-dioxonane-3-yl]-3-(formylamino)-2-hydroxybenzamide
• Synonyms: [2R,3S,6S,7R,8R,(+)]-8-Butyl-3-[(3-formylamino-2-hydroxybenzoyl)amino]-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonane;Deisovalerylblastmycin;N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-dioxo-7-butyl-8-hydroxy-1,5-dioxonane-3-yl]-3-(formylamino)-2-hydroxybenzamide
• CAS NO: 60504-95-2
• Molecular Formula: C₂₁H₂₈N₂O₈
• Molecular Weight: 436.51
• Mol File: 60504-95-2.mol
• Article Data: 1

Chemical Properties

• Melting Point: 187°C
• Boiling Point: 548.92°C (rough estimate)
• Flash Point: 405.7°C
• Appearance: /
• Density: 1.3423 (rough estimate)
• Vapor Pressure: 1.89E-23mmHg at 25°C
• Refractive Index: 1.6500 (estimate)
• PKA: 7.28±0.50(Predicted)
• CAS DataBase Reference: N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-dioxo-7-butyl-8-hydroxy-1,5-dioxonane-3-yl]-3-(formylamino)-2-hydroxybenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-dioxo-7-butyl-8-hydroxy-1,5-dioxonane-3-yl]-3-(formylamino)-2-hydroxybenzamide(60504-95-2)
• EPA Substance Registry System: N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-dioxo-7-butyl-8-hydroxy-1,5-dioxonane-3-yl]-3-(formylamino)-2-hydroxybenzamide(60504-95-2)

Safety Data

• Hazardous Substances Data: 60504-95-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C21H28N2O8/c1-4-5-7-14-17(25)12(3)31-21(29)16(11(2)30-20(14)28)23-19(27)13-8-6-9-15(18(13)26)22-10-24/h6,8-12,14,16-17,25-26H,4-5,7H2,1-3H3,(H,22,24)(H,23,27)/t11-,12+,14-,16+,17+/m1/s1

Upstream product

• 620970-64-1 ((3S,4R,7R,8R,9S)-7-Butyl-4,9-dimethyl-2,6-dioxo-8-triisopropylsilanyloxy-[1,5]dioxonan-3-yl)-carbamic acid benzyl ester 
• 620970-68-5 2-benzyloxy-3-formylaminobenzoic acid 
• 125664-97-3 1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)hexan-1-one 
• 931581-18-9 C₂₇H₄₁NO₆S 
• 620970-63-0 C₃₅H₅₄N₂O₇SSi 
• 620970-62-9 C₃₀H₅₁NO₈Si 
• 931581-23-6 C₃₃H₅₅NO₈Si 
• 931581-22-5 C₃₉H₆₉NO₈Si₂ 
• 931581-21-4 C₂₁H₄₂O₄Si 
• 931581-20-3 C₂₉H₅₀O₅Si 
• 931581-19-0 C₂₀H₃₀O₅ 

Relevant articles and documents

Total Synthesis of the (+)-Antimycin A Family

An asymmetric aldol reaction using Oppolzer's sultam has provided a practical and efficient synthetic route (15 steps, overall yield ca. 24%) to 12 compounds of the Antimycin A family and deisovalerylblastmycin, which were obtained in pure form on a 60-300 mg scale. In the syntheses, the nine-membered dilactone ring was constructed successfully by lactonization of a 2-pyridinethiol ester bearing a TIPS group on the 8-OH by using the (CuOTf) 2A·PhH complex. An asymmetric aldol reaction usingOppolzer's sultam has provided a practical and efficient synthetic route (15 steps, overall yield ca. 24%) to 12 compounds of the antimycin A family and deisovalerylblastmycin, which were obtained in pure form on a 60-300 mg scale.