- Orotic acid
- Orotic acid lithium salt
- Orotic acid monohydrate
- Orotic acid sodium salt
- Orotic acid zinc salt dihydrate
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Cas Database |
| Name |
Orotic acid lithium salt |
EINECS | 226-081-4 |
| CAS No. | 5266-20-6 | Density | N/A |
| PSA | 115.60000 | LogP | -1.81300 |
| Solubility | N/A | Melting Point |
300oC |
| Formula | C5H3LiN2O4 | Boiling Point | N/A |
| Molecular Weight | 162.031 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, monolithium salt (9CI);Orotic acid,monolithium salt (8CI);4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, lithium salt (1:1); |
Article Data | 1 |
Orotic acid lithium salt Synthetic route
| Conditions | Yield |
|---|---|
| With lithium hydroxide In water at 70 - 90℃; for 0.5h; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In N,N-dimethyl-formamide at 70℃; for 2h; | 100% |
- 5266-20-6
lithium orotate
- 26830-94-4
2,4-dichloropyrimidine-6-carboxylic acid chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrogenchloride / N,N-dimethyl-formamide / 2 h / 70 °C 2: phosphorus pentachloride; trichlorophosphate / 3 h / 20 °C / Reflux View Scheme |
- 5266-20-6
lithium orotate
- 1146733-65-4
6-(2,6-dichloro-pyrimidine-4-carbonyl)-4-methyl-3H-benzoxazol-2-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: hydrogenchloride / N,N-dimethyl-formamide / 2 h / 70 °C 2: phosphorus pentachloride; trichlorophosphate / 3 h / 20 °C / Reflux 3: aluminum (III) chloride / 1.5 h / 125 °C View Scheme |
- 5266-20-6
lithium orotate
- 1146731-37-4
3-{1-[2-chloro-6-(4-methyl-2-oxo-2,3-dihydro-benzoxazole-6-carbonyl)-pyrimidin-4-yl]-piperidin-4-yl}-7-methoxy-1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: hydrogenchloride / N,N-dimethyl-formamide / 2 h / 70 °C 2: phosphorus pentachloride; trichlorophosphate / 3 h / 20 °C / Reflux 3: aluminum (III) chloride / 1.5 h / 125 °C 4: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C View Scheme |
Orotic acid lithium salt Specification
The Lithium orotate, with the CAS registry number 5266-20-6, is also known as 4-Pyrimidinecarboxylicacid, 1, 2, 3, 6-tetrahydro-2, 6-dioxo-, lithium salt (1:1). Its EINECS registry number is 226-081-4. This chemical's molecular formula is C5H3LiN2O4 and molecular weight is 162.02932. What's more, its IUPAC name is Lithium 2, 4-dioxo-1H-pyrimidine-6-carboxylate.
Physical properties about Lithium orotate are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 1; (4)Tautomer Count: 9; (5)Exact Mass: 162.025286; (6)MonoIsotopic Mass: 162.025286; (7)Topological Polar Surface Area: 98.3; (8)Heavy Atom Count: 12; (9)Formal Charge: 0; (10)Complexity: 273; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1) Canonical SMILES: [Li+].C1=C(NC(=O)NC1=O)C(=O)[O-]
(2) InChI: InChI=1S/C5H4N2O4.Li/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,
11);/q;+1/p-1
(3) InChIKey: IZJGDPULXXNWJP-UHFFFAOYSA-M
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