CAS No.253801-04-6,1H-Indazole-5-carbaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	253801-04-6
Name:	1H-Indazole-5-carbaldehyde
Article Data:	19

Formula:	C₈H₆N₂O
Molecular Weight:	146.148
Synonyms:	ZINC08700340;
Density:	1.369 g/cm³
Melting Point:	115-119°C
Boiling Point:	358.3 °C at 760 mmHg
Flash Point:	174.4 °C
PSA:	45.75000
LogP:	1.37540

Synthetic route

: 5-hydroxymethyl-1H-indazole

: 253801-04-6
1H-indazole-5-carbaldehyde

Conditions

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

Conditions	Yield
bis-triphenylphosphine-palladium(II) chloride In N,N-dimethyl-formamide at 110℃; for 6h;	59%

...Expand

: 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

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

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

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%

: trihydrogen phosphate

: 74626-47-4
1H-indazole-5-carbonitrile

: 253801-04-6
1H-indazole-5-carbaldehyde

Conditions

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

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

: C10H13NO2

: 253801-04-6
1H-indazole-5-carbaldehyde

Conditions

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

: acetic acid 1H-indazol-5-ylmethyl ester

: 253801-04-6
1H-indazole-5-carbaldehyde

Conditions

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

Conditions	Yield
In methanol at 20℃; for 1488h;

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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