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| CAS No.: | 29745-04-8 |
|---|---|
| Name: | EXO-7-OXABICYCLO[2.2.1]HEPTANE-2,3-DICARBOXYLIC ANHYDRIDE |
| Article Data: | 52 |
| Molecular Structure: | |
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|
|
| Formula: | C8H8O4 |
| Molecular Weight: | 168.149 |
| 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)-; |
| EINECS: | -0 |
| Density: | 1.468 g/cm3 |
| Melting Point: | 114-116 °C |
| Boiling Point: | 362.464 °C at 760 mmHg |
| Flash Point: | 167.017 °C |
| Solubility: | Hydrolyzes in water. |
| Appearance: | solid |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 52.60000 |
| LogP: | -0.13660 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 6118-51-0
exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride
- 29745-04-8
norcantharidin
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| Erhitzen unter vermindertem Druck; | |
| With acetyl chloride for 1.5h; Heating; | |
| durch Sublimation unter vermindertem Druck; |
- 29745-04-8
norcantharidin
| Conditions | Yield |
|---|---|
| With colloid; sodium carbonate; palladium Hydrogenation; |
| Conditions | Yield |
|---|---|
| palladium-carbon In dichloromethane; ethyl acetate | |
| palladium-carbon In dichloromethane; ethyl acetate | 1.69 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 | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In ethyl acetate; acetone under 2585.81 Torr; for 16h; | 7.2 g |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With sodium sulfide; cetyltrimethylammonim bromide In dichloromethane; water | 97% |
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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. |