36413-96-4

Basic information

• Product Name: 7-{[(2E)-7-hydroxy-3,7-dimethyl-6-oxooct-2-en-1-yl]oxy}-2H-chromen-2-one
• CAS NO: 36413-96-4
• Molecular Formula: C₁₉H₂₂O₅
• Molecular Weight: 330.375
• Mol File: 36413-96-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 543.5°C at 760 mmHg
• Flash Point: 194.5°C
• Density: 1.189g/cm³
• Vapor Pressure: 1.21E-12mmHg at 25°C
• Refractive Index: 1.558
• CAS DataBase Reference: 7-{[(2E)-7-hydroxy-3,7-dimethyl-6-oxooct-2-en-1-yl]oxy}-2H-chromen-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 7-{[(2E)-7-hydroxy-3,7-dimethyl-6-oxooct-2-en-1-yl]oxy}-2H-chromen-2-one(36413-96-4)
• EPA Substance Registry System: 7-{[(2E)-7-hydroxy-3,7-dimethyl-6-oxooct-2-en-1-yl]oxy}-2H-chromen-2-one(36413-96-4)

Safety Data

• Hazardous Substances Data: 36413-96-4(Hazardous Substances Data)

Upstream product

• 495-02-3 auraptene 
• 5389-87-7 1-chloro-3,7-dimethylocta-2,6-diene 
• 93-35-6 7-hydroxy-2H-chromen-2-one 
• 130548-21-9 7-(6,7-dihydroxy-3,7-dimethyloct-2E-enyloxy)chromen-2-one 
• 36414-00-3 (E)-7-<<5-(3,3-dimethyloxiranyl)-3-methyl-2-pentenyl>oxy>-2H-1-benzopyran-2-one 
• 43119-82-0 (E)-3-(5-chloro-3-methylpent-3-en-1-yl)-2,2-dimethyloxirane 

Relevant articles and documents

Chemo-enzymatic enantio-convergent asymmetric synthesis of (R)-(+)-Marmin

Asymmetric biohydrolysis of trisubstituted terpenoid oxiranes (rac-1a-rac-3a) was accomplished by employing the epoxide hydrolase activity Rhodococcus and Streptomyces spp. Depending on the biocatalyst, the biohydrolysis proceeded in an enantio-convergent fashion and gave the corresponding vic-diols in up to 97% ee at conversions beyond the 50%-threshold. In order to avoid a depletion of the ee of product by further oxidative metabolism, bioconversions had to be conducted in an inert atmosphere with exclusion of molecular oxygen. The synthetic applicability of this method was demonstrated by the asymmetric total synthesis of the monoterpenoid coumarin (R)-(+)-Marmin in 95% ee.

Microbial Transformation of (+/-)-Epoxyaurapten by Pseudomonas aeruginosa

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