(±)-Norcantharidin

Basic Information

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CAS Number

29745-04-8

Molecular Formula

C8H8O4

Molecular Weight

168.15 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

Basic Physical Properties

Melting Point

113.0 to 117.0 deg-C

Boiling Point

362.5°Cat760mmHg

Water Solubility

Hydrolyzes in water.

Flash Point

167°C

Refractive Index

1.55

SMILES

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C1CC2C3C(C1O2)C(=O)OC3=O

InChI

InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2/t3-,4+,5-,6+

InChIKey

JAABVEXCGCXWRR-FBXFSONDSA-N

LogP

-0.13660000000000028

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

246

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Moisture Sensitive

Synonyms & References

English

Isocantharidin
BRN 0084287
CS-0008782
8452E71EO7
NSC-59023
(3aR,4S,7R,7aS)-hexahydro-4,7-epoxy-2-benzofuran-1,3-dione
cid_93004
EN300-1705964
SCHEMBL3187662
AKOS006276813
( inverted exclamation markA)-NCTD
CHEMBL298246
(1R,2S,6R,7S)-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
( inverted exclamation markA)-Norcantharidin
Z1198158002
HY-N0291
7-OXABICYCLO(2.2.1)HEPTANE-EXO-CIS-2,3-DICARBOXYLIC ANHYDRIDE
NSC 59023
(1R,2S,6R,7S)-4,10-DIOXATRICYCLO[5.2.1.0,2,6]DECANE-3,5-DIONE
NSC-14003
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-, (3aR,4S,7R,7aS)-rel-
NORCANTHARIDIN [WHO-DD]
(3aR,4S,7R,7aS)-hexahydro-4,7-epoxyisobenzofuran-1,3-dione
4,7-EPOXYISOBENZOFURAN-1,3-DIONE, HEXAHYDRO-, (3A.ALPHA.,4.BETA.,7.BETA.,7A.ALPHA.)-
Demethylcantharidin
cid_6852411
29745-04-8
NORCANTHARIDIN, (+/-)-
AC-4860
(1R,2S,6R,7S)-4,10-Dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione
()-NCTD

MDL Number

MFCD01710800

Customs Code

2932999099

FAQ

What are the physical and chemical properties of (±)-Norcantharidin (CAS: 29745-04-8)?

(±)-Norcantharidin is a crystalline compound with a molecular weight of approximately 258.22 g/mol. It has a melting point of 220-223°C and is poorly soluble in water, but soluble in organic solvents such as ethanol and acetone. It is moderately reactive towards bases and light, making it sensitive to degradation under these conditions.

How is (±)-Norcantharidin (CAS: 29745-04-8) typically synthesized?

(±)-Norcantharidin can be synthesized via a multi-step organic synthesis route, starting from 1,4-naphthoquinone. Common synthetic methods include vicinal diol introduction and subsequent ring closure. The reaction typically requires the use of Lewis acids as catalysts and achieves a yield of around 60-70%.

What industries use (±)-Norcantharidin (CAS: 29745-04-8)?

(±)-Norcantharidin finds applications in the pharmaceutical industry, particularly in the development of antineoplastic agents. It is also used in research for its photochemical and photophysical properties, making it relevant to studies in polymer science and semiconductor technology.

What precautions should be taken when handling (±)-Norcantharidin (CAS: 29745-04-8)?

When handling (±)-Norcantharidin, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to prevent inhalation. Spills should be cleaned up using appropriate materials, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.