2-Butenoic acid, 2-methyl-,(9S,10S)-9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)- | CAS No. 78478-28-1

2-Butenoic acid, 2-methyl-,(9S,10S)-9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)-

Basic Information

CAS Number

78478-28-1

Molecular Formula

C24H28O7

Molecular Weight

428.5 g/mol

AD

Basic Physical Properties

Physical State

Powder

Solubility

Methanol; Ethyl Acetate

CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C

InChI

InChI=1S/C24H28O7/c1-7-14(4)23(27)30-22-21(29-18(26)12-13(2)3)19-16(31-24(22,5)6)10-8-15-9-11-17(25)28-20(15)19/h7-11,13,21-22H,12H2,1-6H3/b14-7-/t21-,22-/m0/s1

InChIKey

UFUVJROSOIXJGR-WLISBCLRSA-N

LogP

4.472400000000004

Topological Polar Surface Area

92.03999999999999 Ų

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

779

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • AC-34017
  • 2-Butenoic acid, 2-methyl-, 9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-9-yl ester, (9S-(9alpha(Z),10alpha))-
  • s9151
  • CCG-268981
  • 2-Butenoic acid, 2-methyl-,(9S,10S)-9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)-
  • 78478-28-1
  • MS-27583
  • 3'-Angeloyl-4'-isovalerylkhellactone
  • Praeruptorin E
  • [(9S,10S)-8,8-dimethyl-10-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
  • CS-0032288
  • E87094
  • AKOS015897122
  • HY-N6066
  • 2-Butenoic acid,2-methyl-,9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-9-yl ester,(9S-(9alpha(Z),10alpha))
  • I07-0317
  • X1208
  • Praeruptorin C
  • Pd-III
  • (+)-Praeruptorin B
  • 2-Butenoic acid,2-methyl-,(9S,
  • (+)-Praeruptorin E,Wulongensin A,Praeruptorin G

MDL Number

MFCD09953816

FAQ

What are the physical and chemical properties of 2-Butenoic acid, 2-methyl-,(9S,10S)-9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester (CAS: 78478-28-1)?

This compound is a solid with a crystalline form. It has a molecular weight of approximately 498.54 g/mol. It is moderately soluble in organic solvents like dichloromethane and chloroform. Chemically, it is reactive towards nucleophiles and can undergo esterification and condensation reactions. It is also susceptible to hydrolysis under basic conditions.

How is 2-Butenoic acid, 2-methyl-,(9S,10S)-9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester (CAS: 78478-28-1) typically synthesized?

This compound can be synthesized via a multi-step process involving esterification of a 2-methyl-2-butenoic acid with a 10-(3-methyl-1-oxobutoxy)-8,8-dimethyl-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl alcohol. The reaction is typically catalyzed by an acid, and high selectivity and yield are achieved under optimized conditions.

What industries use 2-Butenoic acid, 2-methyl-,(9S,10S)-9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester (CAS: 78478-28-1)?

This compound is used in the pharmaceutical industry for the synthesis of specific drug molecules. It also finds applications in the polymer industry for modifying the properties of polymer materials. Additionally, it can be used in the development of sensors and semiconductors for specialized electronic devices.

What precautions should be taken when handling 2-Butenoic acid, 2-methyl-,(9S,10S)-9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester (CAS: 78478-28-1)?

When handling this compound, it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it is recommended to use appropriate absorbents and follow the material safety data sheet (MSDS) guidelines for disposal.

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