CAS No.271-34-1,5-Azaindole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	271-34-1
Name:	5-Azaindole
Article Data:	36

Formula:	C₇H₆N₂
Molecular Weight:	398.224
Synonyms:	5-23-06-00304 (Beilstein Handbook Reference);1H-Pyrrolo[3,2-c]pyridine;4,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene;1H-Pyrrolo(3,2-c)pyridine;3,7-Dideazapurine;1,5-Diazaindene;
EINECS:	676-348-8
Density:	1.242 g/cm³
Melting Point:	104.6-108.4°C
Boiling Point:	295.8 °C at 760 mmHg
Flash Point:	137.4 °C
Solubility:	Hardly soluble in water. Soluble in methanol and chloroform.
Appearance:	off-white to yellowish crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	28.68000
LogP:	1.56290

Synthetic route

: 60290-21-3
4-chloro-1H-pyrrolo-[3,2-c]-pyridine

: 271-34-1
5-azaindole

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol	96%

: 148760-75-2
tert-butyl 1H-pyrrolo[3,2-c]pyridine-1-carboxylate

: 271-34-1
5-azaindole

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃; for 1.5h;	95%

: 148760-46-7
3-(4-Morpholinovinylene)-4-nitropyridine 1-oxide

: 271-34-1
5-azaindole

Conditions

Conditions	Yield
With hydrogen; nickel In ethanol; water under 14.7 - 22.07 Torr; 1) 15 h, 20 deg C, 2) 3-5 h, 60 deg C;	92%

: 148760-47-8
3-Dimethylaminovinylene-4-nitropyridine

: 271-34-1
5-azaindole

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol under 14.7 - 22.07 Torr; 1) 1 h, 20 deg C, 2) 3 h, 60 deg C;	91%

: 123367-22-6
(E)-N,N-dimethyl-2-(4-nitro-1-oxidopyridin-3-yl)ethenamine

: 271-34-1
5-azaindole

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In ethanol at 60℃; under 3750.38 Torr; for 4h; Inert atmosphere;	91%
With hydrogen; palladium on activated charcoal In ethanol under 14.7 - 22.07 Torr; 1) 1 h, 20 deg C, 2) 3 h, 60 deg C;	87%
With hydrogen; Raney nickel In ethanol; water at 20 - 40℃; under 750.075 Torr; for 5.25h;	76%

: 19798-77-7
4-amino-3-chloropyridine

: 74-86-2
acetylene

: 271-34-1
5-azaindole

Conditions

Conditions	Yield
With Ni(1,5-cyclooctadiene)2 In tetrahydrofuran; diethyl ether at 110℃; for 4.5h; Temperature; Microwave irradiation;	90.4%

: 146336-80-3
N-(3-((Z)-2-ethoxyvinyl)pyridin-4-yl)acetamide

: 271-34-1
5-azaindole

Conditions

Conditions	Yield
With hydrogenchloride In methanol for 2h; Heating;	90%
With hydrogenchloride In methanol; water for 5h; Inert atmosphere; Reflux;	1.9 g

raney's nickel: raney's nickel

: 3-(β-dimethylaminovinyl)-4-nitro-pyridine-1-oxide

: 271-34-1
5-azaindole

Conditions

Conditions	Yield
In ethanol; water	84%

: 1239605-12-9
3-ethynyl-4-pyridinamine

: 271-34-1
5-azaindole

Conditions

Conditions	Yield
With pyrrolidine In water at 200℃; for 0.25h; Microwave irradiation;	82%

: 104118-88-9
3-dimethylaminovinylene-4-nitropyridine-l-oxide

: 271-34-1
5-azaindole

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In ethanol at 20 - 65℃; under 1500.15 - 2250.23 Torr; for 8h; Inert atmosphere; Autoclave;	74.5%

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Specification

The 5-Azaindole is an organic compound with the formula C₇H₆N₂. The IUPAC name of this chemical is 1H-pyrrolo[3,2-c]pyridine. With the CAS registry number 271-34-1, it is also named as 3,7-Dideazapurine. The product's categories are Indoles and Derivatives; Indole; Heterocyclic Compounds; Indole Series; Azaindole; Building Blocks. It is used as reagent for organic synthesis.

The other characteristics of 5-Azaindole can be summarized as: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.392; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 15.855; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Index of Refraction: 1.697; (12)Molar Refractivity: 36.62 cm³; (13)Molar Volume: 95.095 cm³; (14)Polarizability: 14.517×10^-24 cm³; (15)Surface Tension: 60.176 dyne/cm; (16)Enthalpy of Vaporization: 51.406 kJ/mol; (17)Vapour Pressure: 0.003 mmHg at 25°C; (18)Tautomer Count: 2; (19)Exact Mass: 118.053098; (20)MonoIsotopic Mass: 118.053098; (21)Topological Polar Surface Area: 28.7; (22)Heavy Atom Count: 9; (23)Complexity: 103.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:c1c[nH]c2c1cncc2
2. InChI:InChI=1/C7H6N2/c1-4-9-7-2-3-8-5-6(1)7/h1-5,9H
3. InChIKey:SRSKXJVMVSSSHB-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C7H6N2/c1-4-9-7-2-3-8-5-6(1)7/h1-5,9H
5. Std. InChIKey:SRSKXJVMVSSSHB-UHFFFAOYSA-N

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	16mg/kg (16mg/kg)		Journal of Medicinal Chemistry. Vol. 6, Pg. 480, 1963.