(3aAlpha,4Beta,7aAlpha)-4-(Acetyloxy)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

CAS: 185823-90-9

Ref. TR-A185825

Product Information

• Name: (3aAlpha,4Beta,7aAlpha)-4-(Acetyloxy)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
• Synonyms: (3aR,4S,7aR)-1,3-Dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl Acetate

Description

Applications (3aα,4β,7aα)-4-(Acetyloxy)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is an intermediate in the synthesis of (3aα,4β,7aα)-3a,4,7,7a-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione (T293630), which is a metabolite of Captan (C175725), a fungicide, often added to pesticide mixtures used to control diseases among fruits, vegetables.
References Kukla, D. et al.: J. Agri. Food Chem., 43, 1224 (1995); Afful, S., et al.: Res. J. App. Sci., Eng. Technol., 2, 592 (2010), Engelen, K., et al.: J. Prot. Res., 9, 4919 (2010), Lagunas-Allue, L., et al.: Anal. Bioanal. Chem., 398, 1509 (2010),

• Brand: TRC

Chemical properties

• Molecular weight: 209.2
• Formula: C₁₀H₁₁NO₄
• Color/Form: Neat
• InChI: InChI=1S/C10H11NO4/c1-5(12)15-7-4-2-3-6-8(7)10(14)11-9(6)13/h2,4,6-8H,3H2,1H3,(H,11,13,14)/t6-,7+,8-/m1/s1
• InChI key: InChIKey=SIYUGGBYKHTHJE-GJMOJQLCSA-N
• SMILES: CC(=O)O[C@H]1C=CC[C@H]2C(=O)NC(=O)[C@@H]12