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Cas Database |
| Name |
9,10-Dihydrolysergic acid |
EINECS | 227-551-1 |
| CAS No. | 5878-43-3 | Density | 1.31 g/cm3 |
| PSA | 56.33000 | LogP | 2.15040 |
| Solubility | N/A | Melting Point |
300 °C |
| Formula | C16H18N2O2 | Boiling Point | 517.3 °C at 760 mmHg |
| Molecular Weight | 270.331 | Flash Point | 266.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ergoline-8b-carboxylic acid, 6-methyl-(8CI);Lysergic acid, dihydro- (6CI,7CI);6-Methyl-8b-carboxyergoline;6-Methyl-8b-ergolinecarboxylic acid;9,10-Dihydro-D-lysergic acid;9,10-Dihydrolysergic acid I;9,10a-Dihydrolysergic acid;D-Dihydrolysergic acid I;Dihydrolysergic acid;Lysergic acid, 9,10-dihydro-, I; |
Article Data | 21 |
9,10-Dihydrolysergic acid Synthetic route
- 25447-66-9
Dihydroergocryptine
- 5878-43-3
9,10-dihydrolysergic acid
| Conditions | Yield |
|---|---|
| With sodium dithionite; sodium hydroxide In water for 4h; Reflux; | 93% |
- 3006-19-7, 5143-94-2, 35470-53-2, 77842-02-5, 87247-99-2, 96648-31-6, 96648-32-7
9,10-dihydrolysergic acid methyl ester
- 5878-43-3
9,10-dihydrolysergic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; water for 3h; | 71% |
| With sodium hydroxide In methanol; water for 3h; | 71% |
| With sodium hydroxide In methanol Ambient temperature; |
A
- 88299-13-2
dihydrolysergyldehydrovaline azalactam
B
- 88299-12-1
dihydrolysergyldehydrovaline methyl ester
C
- 5654-85-3, 14705-60-3, 26488-24-4, 32021-26-4, 43041-16-3, 43041-30-1, 3705-26-8
(3S,8aS)-3-benzyloctahydropyrrolo[1,2-a]pyrazine-1,4-dione
D
- 5878-43-3
9,10-dihydrolysergic acid
| Conditions | Yield |
|---|---|
| at 190℃; for 0.5h; Further byproducts given; | A 3.3% B 1.3% C 23% D 51% |
- 82-58-6
D-lysergic acid
A
- 2481-70-1
ent-6-methyl-5α-ergoline-8β-carboxylic acid
B
- 5878-43-3
9,10-dihydrolysergic acid
| Conditions | Yield |
|---|---|
| With acetic acid; platinum Hydrogenation; |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; nickel at 60 - 65℃; under 44130.5 - 47808 Torr; Hydrogenation; |
- 51867-15-3
6-methyl-8-methylen-ergolin-7-one
- 5878-43-3
9,10-dihydrolysergic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide; 2-methyl-propan-1-ol |
- 2481-70-1, 5878-43-3, 6838-23-9, 6871-64-3
rac-9,10-dihydrolysergic acid
- 5878-43-3
9,10-dihydrolysergic acid
| Conditions | Yield |
|---|---|
| With (1R,2S)-norephedrine Gewinnung aus rac-6-Methyl-ergolin-8β-carbonsaeure; |
- 5878-43-3
9,10-dihydrolysergic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
- 5878-43-3
9,10-dihydrolysergic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
| Conditions | Yield |
|---|---|
| anschliessend Hydrolysieren; |
9,10-Dihydrolysergic acid Specification
The 9,10-Dihydrolysergic acid, with CAS registry number 5878-43-3, has the systematic name of (8beta)-6-methylergoline-8-carboxylic acid. Besides this, it is also called 6-methylergoline-8beta-carboxylic acid. And the chemical formula of this chemical is C16H18N2O2. What's more, its EINECS is 227-551-1.
Physical properties of 9,10-Dihydrolysergic acid: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.12; (6)ACD/KOC (pH 7.4): 1.13; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 56.33 Å2; (11)Index of Refraction: 1.669; (12)Molar Refractivity: 76.97 cm3; (13)Molar Volume: 206.2 cm3; (14)Polarizability: 30.51×10-24cm3; (15)Surface Tension: 59.1 dyne/cm; (16)Density: 1.31 g/cm3; (17)Flash Point: 266.6 °C; (18)Enthalpy of Vaporization: 83.13 kJ/mol; (19)Boiling Point: 517.3 °C at 760 mmHg; (20)Vapour Pressure: 1.58E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@@H]1C[C@@H]2c3cccc4ncc(C[C@H]2N(C)C1)c34
(2)InChI: InChI=1/C16H18N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-4,7,10,12,14,17H,5-6,8H2,1H3,(H,19,20)/t10-,12-,14-/m1/s1
(3)InChIKey: ORBSYPFBZQJNJE-MPKXVKKWBW
(4)Std. InChI: InChI=1S/C16H18N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-4,7,10,12,14,17H,5-6,8H2,1H3,(H,19,20)/t10-,12-,14-/m1/s1
(5)Std. InChIKey: ORBSYPFBZQJNJE-MPKXVKKWSA-N
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