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Endothall anhydride

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Name

Endothall anhydride

EINECS -0
CAS No. 29745-04-8 Density 1.468 g/cm3
PSA 52.60000 LogP -0.13660
Solubility Hydrolyzes in water. Melting Point 114-116 °C
Formula C8H8O4 Boiling Point 362.464 °C at 760 mmHg
Molecular Weight 168.149 Flash Point 167.017 °C
Transport Information N/A Appearance solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 29745-04-8 (EXO-7-OXABICYCLO[2.2.1]HEPTANE-2,3-DICARBOXYLIC ANHYDRIDE) Hazard Symbols N/A
Synonyms

Endothall anhydride;Norcantharidin;7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride;4,10-Dioxatricyclo[5.2.1.0(2,6)]decane-3,5-dione;4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-;

Article Data 52

Endothall anhydride Synthetic route

6118-51-0

exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride

29745-04-8

norcantharidin

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal; water In tetrahydrofuran Ambient temperature;100%
With hydrogen; palladium on activated charcoal In tetrahydrofuran at 23℃;100%
With hydrogen; palladium on activated charcoal In tetrahydrofuran at 20℃; for 4h;100%
108-31-6

maleic anhydride

29745-04-8

norcantharidin

Conditions
ConditionsYield
In toluene at 80℃; for 6h;87%
With hydrogen; palladium Multistep reaction;
Stage #1: furan; maleic anhydride In diethyl ether at 20℃; for 24h; Diels-Alder addition;
Stage #2: With hydrogen; palladium on activated charcoal under 3040.2 Torr; for 72h; Further stages.;
28874-46-6

endothall

29745-04-8

norcantharidin

Conditions
ConditionsYield
Erhitzen unter vermindertem Druck;
With acetyl chloride for 1.5h; Heating;
durch Sublimation unter vermindertem Druck;
exo-cis-3.6-oxido-Δ4-tetrahydrophthalic acid-anhydride

exo-cis-3.6-oxido-Δ4-tetrahydrophthalic acid-anhydride

29745-04-8

norcantharidin

Conditions
ConditionsYield
With colloid; sodium carbonate; palladium Hydrogenation;
14920-89-9

2,3-dimethylfuran

108-31-6

maleic anhydride

29745-04-8

norcantharidin

Conditions
ConditionsYield
palladium-carbon In dichloromethane; ethyl acetate
palladium-carbon In dichloromethane; ethyl acetate1.69 g (8.61 mmol, 84%)
5426-09-5, 6118-51-0, 6766-44-5

4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

29745-04-8

norcantharidin

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In ethyl acetate; acetone under 2585.81 Torr; for 16h;7.2 g
33966-50-6

SEC-BUTYLAMINE

29745-04-8

norcantharidin

C12H17NO3

Conditions
ConditionsYield
With triethylamine In toluene for 36h; Heating;98%
67-56-1

methanol

29745-04-8

norcantharidin

130464-52-7

(1S,2R,3S,4R)-3-(methoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Conditions
ConditionsYield
With C28H27F6N3O3S In tetrahydrofuran at 25℃; for 26h; Inert atmosphere;98%
With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((1S,2R)-3-(tert-butyldimethylsilyloxy)-2-(dimethylamino)-1-(4-nitrophenyl)propyl)thiourea In tert-butyl methyl ether at 20℃; for 96h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;88%
With C26H34F6N4O3SSi In tert-butyl methyl ether at 20℃; for 48h; Inert atmosphere; enantioselective reaction;85%
6640-24-0

N-(m-chlorophenyl)piperazine

29745-04-8

norcantharidin

(7-oxabicyclo[2.2.1]heptane-2,3-diyl)bis(4-(3-chlorophenyl)piperazin-1-yl)methanone

Conditions
ConditionsYield
Stage #1: N-(m-chlorophenyl)piperazine; norcantharidin With dmap; triethylamine In dichloromethane at 20℃; Inert atmosphere;
Stage #2: With diisopropyl-carbodiimide In dichloromethane at 20℃; Inert atmosphere; Cooling with ice;
98%
29745-04-8

norcantharidin

Endothal tioanhydride

Conditions
ConditionsYield
With sodium sulfide; cetyltrimethylammonim bromide In dichloromethane; water97%

Endothall anhydride Specification

The CAS register number of Endothall anhydride is 29745-04-8. It also can be called as Norcantharidin and 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride. The molecular formula about this chemical is C8H8O4 and the molecular weight is 168.15. It belongs to the following product categories, such as Norbornene Derivatives; Protein Phosphatase 1 (PP1); Cell Signaling and Neuroscience; Kinase/Phosphatase Biology; Phosphatase InhibitorsSerine/Threonine Kinase Biology; Serine/Threonine Phosphatase Inhibitors and so on. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place. When you are using it, please avoid contact with oxides and ensure that workplace has good ventilation or exhaust.

Physical properties about Endothall anhydride are: (1)ACD/LogP: -0.97; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7; (5)ACD/KOC (pH 7.4): 7; (6)#H bond acceptors: 4; (7)Polar Surface Area: 52.6Å2; (8)Index of Refraction: 1.55; (9)Molar Refractivity: 36.47 cm3; (10)Molar Volume: 114.53 cm3; (11)Polarizability: 14.458x10-24cm3; (12)Surface Tension: 50.117 dyne/cm; (13)Enthalpy of Vaporization: 60.841 kJ/mol; (14)Boiling Point: 362.464 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)OC3=O
(2)InChI: InChI=1/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2/t3-,4+,5-,6+
(3)InChIKey: JAABVEXCGCXWRR-FBXFSONDBL
(4)Std. 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+
(5)Std. InChIKey: JAABVEXCGCXWRR-FBXFSONDSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4mg/kg (4mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 35, Pg. 823, 1987.

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