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| CAS No.: | 80286-58-4 |
|---|---|
| Name: | artemisic acid |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C15H22O2 |
| Molecular Weight: | 234.338 |
| Synonyms: | Arteannuic acid;Artemisininic acid;Qing Hao acid; |
| Density: | 1.019 g/cm3 |
| Melting Point: | 129-131 °C |
| Boiling Point: | 373.563 °C at 760 mmHg |
| Flash Point: | 273.336 °C |
| PSA: | 37.30000 |
| LogP: | 3.64580 |
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 125184-95-4
dehydroartemisinyl alcohol
- 80286-58-4
artemisinic acid
| Conditions | Yield |
|---|---|
| With Jones reagent In acetone at 20℃; | 100% |
| Conditions | Yield |
|---|---|
| With Tetradecanoic acid 1-methylethyl ester; artemisinic acid producing yeast strain In water for 123.4h; Product distribution / selectivity; Enzymatic reaction; |
- 64-17-5
ethanol
B
- 80286-58-4
artemisinic acid
C
- 92692-39-2
(1R,4R,4aS,8aR)-4,7-dimethyl-1-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
D
- 125184-95-4
dehydroartemisinyl alcohol
| Conditions | Yield |
|---|---|
| With Tetradecanoic acid 1-methylethyl ester Reagent/catalyst; Enzymatic reaction; |
- 64-17-5
ethanol
A
- 80286-58-4
artemisinic acid
B
- 92692-39-2
(1R,4R,4aS,8aR)-4,7-dimethyl-1-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
C
- 125184-95-4
dehydroartemisinyl alcohol
| Conditions | Yield |
|---|---|
| With Tetradecanoic acid 1-methylethyl ester Reagent/catalyst; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| In diethyl ether at 0℃; | 100% |
| In diethyl ether at 0℃; | 99% |
| In diethyl ether for 0.333333h; Ambient temperature; | 98% |
- 80286-58-4
artemisinic acid
- 85031-59-0, 110715-68-9, 126643-10-5
dihydroartemisinic acid
| Conditions | Yield |
|---|---|
| With lithium borohydride; nickel dichloride In methanol for 2h; Ambient temperature; | 100% |
| With C48H50Cl4N2O2P2Ru3; hydrogen; sodium hydrogencarbonate In methanol at 0℃; under 22502.3 Torr; for 36h; Autoclave; | 98% |
| With palladium on activated charcoal; hydrogen In chloroform at 20℃; under 750.075 Torr; Solvent; Pressure; Reagent/catalyst; | 98% |
- 186581-53-3, 908094-01-9
diazomethane
- 80286-58-4
artemisinic acid
- 150665-64-8
(S)-3-((1R,4R,4aS,8aR)-4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalen-1-yl)-4,5-dihydro-3H-pyrazole-3-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| In diethyl ether at 0℃; for 10h; | 98% |
- 80286-58-4
artemisinic acid
- 110715-68-9
(S)-dihydroartemisinic acid
| Conditions | Yield |
|---|---|
| With C48H50Cl4N2O2P2Ru3; hydrogen; sodium hydrogencarbonate In methanol at 0℃; under 22502.3 Torr; for 36h; Autoclave; | 98% |
| With dihydrogen peroxide; hydrazine hydrate In ethanol at 0 - 20℃; | 86% |
- 80286-58-4
artemisinic acid
- 161022-41-9
dihydroartemisinic acid
| Conditions | Yield |
|---|---|
| With hydrogen; potassium hydroxide In water; toluene at 0 - 60℃; under 76005.1 Torr; for 12h; Reagent/catalyst; Solvent; Autoclave; enantioselective reaction; | 97.4% |
| With hydrogen; Wilkinson's catalyst In methanol under 1551.49 - 1913.5 Torr; for 289h; Product distribution / selectivity; Parr apparatus; | |
| With tris(triphenylphosphine)ruthenium(II) chloride; C48H50N2O2P2Ru; hydrogen; triethylamine In methanol at 0℃; under 15001.5 Torr; for 24h; Autoclave; enantioselective reaction; | n/a |
- 80286-58-4
artemisinic acid
- 2450-71-7
Propargylamine
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 25℃; for 6h; Inert atmosphere; | 95% |
| With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 25℃; for 6h; Inert atmosphere; | 95% |
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Specification
The Artemisinic acid, with the CAS registry number 80286-58-4, is also known as Arteannuic acid. It belongs to the product category of Miscellaneous Natural Products. This chemical's molecular formula is C15H22O2 and molecular weight is 234.34. What's more, both its IUPAC name and systematic name are the same which is called 2-[(1R,4R,4aS,8aR)-4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid.
Physical properties about Artemisinic acid are: (1)ACD/LogP: 5.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 281.08; (6)ACD/BCF (pH 7.4): 4.56; (7)ACD/KOC (pH 5.5): 895.70; (8)ACD/KOC (pH 7.4): 14.53; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 68.127 cm3; (15)Molar Volume: 229.854 cm3; (16)Polarizability: 27.008×10-24cm3; (17)Surface Tension: 34.031 dyne/cm; (18)Density: 1.019 g/cm3; (19)Flash Point: 273.336 °C; (20)Enthalpy of Vaporization: 68.177 kJ/mol; (21)Boiling Point: 373.563 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Uses of Artemisinic acid: it is used to produce other chemicals. For example, it can react with qinghao acid to get methyl artemisinate. This reaction needs solvent diethyl ether at temperature of 0 °C. The reaction time is 30 min. The yield is 98 %.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)C(=C)[C@@H]1CC[C@@H](C)[C@@H]2CCC(\C)=C/[C@H]12
(2) InChI: InChI=1S/C15H22O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10,12-14H,3-7H2,1-2H3,(H,16,17)/t10-,12+,13+,14+/m1/s1
(3) InChIKey: PLQMEXSCSAIXGB-SAXRGWBVSA-N