(1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one

Basic Information

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CAS Number

728-61-0

Molecular Formula

C15H16O3

Molecular Weight

244.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Cryst.

Boiling Point

437.9 ℃ at 760 mmHg

Density

1.19

Flash Point

218.6°C

Solubility

Methanol; Ethyl Acetate

Refractive Index

1.572

SMILES

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CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O

InChI

InChI=1S/C15H16O3/c1-9-4-3-5-11-7-13(18-15(11)16)14-10(2)8-17-12(14)6-9/h4,7-8,13H,3,5-6H2,1-2H3/b9-4+/t13-/m1/s1

InChIKey

LWCKQMHMTSRRAA-QGQQYVBWSA-N

LogP

3.3949200000000017

Topological Polar Surface Area

39.44 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

422

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

MS-23457
6H-4,7-Methenofuro(3,2-c)oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, (R-(E))-
728-61-0
AC-34847
6H-4,7-Methenofuro[3,2-c]oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, [R-(E)]-
Q27137414
Germacra-1(10),4,7,11-tetraen-15-oic acid, 8,12-epoxy-6.alpha.-hydroxy-, .gamma.-lactone, (E)-(+)-
Linderalactone
Germacra-1(10),4,7,11-tetraen-15-oic acid, 8,12-epoxy-6alpha-hydroxy-, gamma-lactone, (E)-(+)-
(1R,8E)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,8,12(15)-tetraen-13-one
(R,7Z,10E)-3,11-dimethyl-4,8,9,12-tetrahydro-6H-4,7-(metheno)furo[3,2-c][1]oxacycloundecin-6-one
HY-N0781
CHEBI:69074
CS-0009799
CHEMBL1080239
(1R,8E)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.0?,?]pentadeca-2(6),3,8,12(15)-tetraen-13-one
6H-4,7-Methenofuro(3,2-c)oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, (4R,10E)-
LWCKQMHMTSRRAA-QGQQYVBWSA-N
AKOS015897170
C17425
NCGC00385309-01
(4R,10E)-3,11-Dimethyl-4,8,9,12-tetrahydro-6H-4,7-methenofuro[3,2-c]oxacycloundecin-6-one
(R,10E)-4,8,9,12-Tetrahydro-3,11-dimethyl-6H-4,7-methenofuro[3,2-c]oxacycloundecin-6-one
(R,E)-3,11-Dimethyl-8,9-dihydro-4H-4,7-(metheno)furo[3,2-c][1]oxacycloundecin-6(12H)-one
1312AC

MDL Number

MFCD12031632

FAQ

What are the physical and chemical properties of (1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one (CAS: 728-61-0)?

(1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one is a crystalline solid with a molecular weight of approximately 250.23 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and ethanol. Chemically, it is reactive towards nucleophiles and electrophiles. It can undergo various reactions such as addition and substitution reactions.

How is (1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one (CAS: 728-61-0) typically synthesized?

(1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one can be synthesized through a ring-closing metathesis (RCM) reaction of an appropriate cyclic diene derivative. The reaction typically requires a ruthenium-based catalyst and is carried out under mild conditions. The yield and selectivity of the reaction can be optimized by adjusting the catalyst concentration and reaction temperature.

What industries use (1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one (CAS: 728-61-0)?

(1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the production of materials for sensors and semiconductors due to its unique chemical structure and reactive properties.

What precautions should be taken when handling (1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one (CAS: 728-61-0)?

When handling (1R)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.