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Cas Database |
| Name |
1H-Indazole-5-carbaldehyde |
EINECS | N/A |
| CAS No. | 253801-04-6 | Density | 1.369 g/cm3 |
| PSA | 45.75000 | LogP | 1.37540 |
| Solubility | N/A | Melting Point |
115-119°C |
| Formula | C8H6N2O | Boiling Point | 358.3 °C at 760 mmHg |
| Molecular Weight | 146.148 | Flash Point | 174.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
ZINC08700340; |
Article Data | 19 |
1H-Indazole-5-carbaldehyde Synthetic route
- 253801-04-6
1H-indazole-5-carbaldehyde
| Conditions | Yield |
|---|---|
| With Dess-Martin periodane In dichloromethane for 12h; | 100% |
| With Dess-Martin periodane In dichloromethane | 82% |
| With Dess-Martin periodane In dichloromethane at 20℃; for 0.5h; | 74% |
| With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In ethyl acetate at 90℃; for 17h; | |
| With Dess-Martin periodane In dichloromethane for 2h; Dess-Martin Oxidation; |
- 201230-82-2
carbon monoxide
- 55919-82-9
5-iodo-1H-indazole
- 141-53-7
sodium formate
- 253801-04-6
1H-indazole-5-carbaldehyde
| Conditions | Yield |
|---|---|
| bis-triphenylphosphine-palladium(II) chloride In N,N-dimethyl-formamide at 110℃; for 6h; | 59% |
- 53857-57-1
5-bromo-1H-indazole
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 253801-04-6
1H-indazole-5-carbaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 5-bromo-1H-indazole With n-butyllithium In tetrahydrofuran at -50℃; for 2h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran for 0.5h; | 58% |
| Stage #1: 5-bromo-1H-indazole With n-butyllithium In tetrahydrofuran; hexane at -50℃; for 2h; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran; hexane at -50℃; for 0.5h; Inert atmosphere; | 58% |
| Stage #1: 5-bromo-1H-indazole With n-butyllithium In tetrahydrofuran at -78 - -40℃; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -78 - 20℃; | 52% |
- 53857-57-1
5-bromo-1H-indazole
- 253801-04-6
1H-indazole-5-carbaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 5-bromo-1H-indazole With n-butyllithium In tetrahydrofuran; hexane at -40℃; for 0.25h; Stage #2: With N,N-dimethyl-formamide In tetrahydrofuran; hexane at -40 - 20℃; for 1.5h; | 57% |
| With hydrogenchloride; sodium hydroxide; sodium hydrogensulfite In tetrahydrofuran; N-methyl-acetamide; cyclohexane; water; ethyl acetate; mineral oil |
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 253801-04-6
1H-indazole-5-carbaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 5-bromo-1H-indazole With n-butyllithium In tetrahydrofuran at -78 - -40℃; for 1h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -78 - 20℃; for 2.5h; Stage #3: With water In tetrahydrofuran | 52% |
| Conditions | Yield |
|---|---|
| With pyridine; aluminum nickel In water; acetic acid |
- 88990-57-2
4-(Hydroxymethyl)-2-methylaniline
- 253801-04-6
1H-indazole-5-carbaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: potassium acetate / chloroform / 3 h / Reflux 2: isopentyl nitrite; 18-crown-6 ether / 24 h / Reflux 3: sodium hydroxide / methanol / 1 h 4: Dess-Martin periodane / dichloromethane / 2 h View Scheme |
- 253801-04-6
1H-indazole-5-carbaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: isopentyl nitrite; 18-crown-6 ether / 24 h / Reflux 2: sodium hydroxide / methanol / 1 h 3: Dess-Martin periodane / dichloromethane / 2 h View Scheme |
- 253801-04-6
1H-indazole-5-carbaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium hydroxide / methanol / 1 h 2: Dess-Martin periodane / dichloromethane / 2 h View Scheme |
- 1619884-78-4
(E)-N-(5,6-dichloropyridin-3-yl)-1-(1H-indazol-5-yl)methanimine
A
- 253801-04-6
1H-indazole-5-carbaldehyde
B
- 98121-41-6
5-Amino-2,3-dichloropyridine
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 1488h; |
1H-Indazole-5-carbaldehyde Specification
This chemical also known as ZINC08700340 is an organic compound with the formula C8H6N2O. It belongs to the product categories of Aldehyde; Building Blocks; Indazole. With the CAS registry number 253801-04-6, its IUPAC name is 1H-indazole-5-carbaldehyde.
Physical properties of 1H-Indazole-5-carbaldehyde: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 5.17; (5)ACD/BCF (pH 7.4): 5.17; (6)ACD/KOC (pH 5.5): 112.84; (7)ACD/KOC (pH 7.4): 112.84; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.747; (12)Molar Refractivity: 43.37 cm3; (13)Molar Volume: 106.7 cm3; (14)Surface Tension: 71 dyne/cm; (15)Density: 1.368 g/cm3; (16)Flash Point: 174.4 °C; (17)Enthalpy of Vaporization: 60.38 kJ/mol; (18)Boiling Point: 358.3 °C at 760 mmHg; (19)Vapour Pressure: 2.56E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1C=O)C=NN2
(2)InChI: InChI=1S/C8H6N2O/c11-5-6-1-2-8-7(3-6)4-9-10-8/h1-5H,(H,9,10)
(3)InChIKey: YJKMYHNMBGQQQZ-UHFFFAOYSA-N
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