CAS No.2589-12-0,4,6-DICHLOROIMIDAZO[4,5-C]PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2589-12-0
Name:	4,6-DICHLOROIMIDAZO[4,5-C]PYRIDINE
Article Data:	7

Formula:	C₆H₃Cl₂N₃
Molecular Weight:	188.016
Synonyms:	1H-Imidazo[4,5-c]pyridine,4,6-dichloro- (7CI,9CI);2,6-Dichloro-3-deazapurine;4,6-Dichloroimidazo[4,5-c]pyridine;NSC 264047;
Density:	1.675 g/cm³
Melting Point:	253-254°C
Boiling Point:	482.902 °C at 760 mmHg
Flash Point:	277.938 °C
Appearance:	Beige solid
PSA:	41.57000
LogP:	2.26470

Synthetic route

: 101079-63-4
3,4-diamino-2,6-dichloropyridine

: 122-51-0
orthoformic acid triethyl ester

: 2589-12-0
4,6-dichloro-1H-imidazo<4,5-c>pyridine

Conditions

Conditions	Yield
With acetic anhydride for 4.5h; Heating;	96%
Stage #1: 3,4-diamino-2,6-dichloropyridine; orthoformic acid triethyl ester With acetic anhydride for 4.5h; Reflux; Stage #2: With sodium hydroxide In water at 50℃; for 0.666667h;
Stage #1: 3,4-diamino-2,6-dichloropyridine; orthoformic acid triethyl ester With acetic anhydride at 90℃; for 4.5h; Stage #2: With sodium hydroxide In water at 85 - 90℃; for 0.75h;	3.4 g

: 3,4-diamino-2,6-dichloropyridine dihydrochloride

: 122-51-0
orthoformic acid triethyl ester

: 2589-12-0
4,6-dichloro-1H-imidazo<4,5-c>pyridine

Conditions

Conditions	Yield
With acetic anhydride at 145℃; for 0.5h;	90%

: 668268-66-4
3-amino-4-acetamido-2,6-dichloropyridine

: 2589-12-0
4,6-dichloro-1H-imidazo<4,5-c>pyridine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. NaOH / Heating 2: 96 percent / Ac2O / 4.5 h / Heating View Scheme

: 2402-78-0
2,6-dichloropyridine

: 2589-12-0
4,6-dichloro-1H-imidazo<4,5-c>pyridine

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1: CF3COOH; aq. H2O2 / 6.5 h / Heating 2: HNO3; H2SO4 / 160 °C 3: AcOH; Fe / Heating 4: HNO3; H2SO4 / 20 °C 5: H2SO4 / 100 °C 6: 51 percent / Fe / 2 h / Heating 7: aq. NaOH / Heating 8: 96 percent / Ac2O / 4.5 h / Heating View Scheme
Multi-step reaction with 7 steps 1: CF3COOH; aq. H2O2 / 6.5 h / Heating 2: HNO3; H2SO4 / 160 °C 3: AcOH; Fe / Heating 4: HNO3; H2SO4 / 20 °C 5: H2SO4 / 100 °C 6: 94 percent / Fe; H2O; HCl / ethanol / 16 h / 95 °C 7: 96 percent / Ac2O / 4.5 h / Heating View Scheme

: 2587-02-2
2,6-dichloro-[4]pyridylamine

: 2589-12-0
4,6-dichloro-1H-imidazo<4,5-c>pyridine

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: HNO3; H2SO4 / 20 °C 2: H2SO4 / 100 °C 3: 51 percent / Fe / 2 h / Heating 4: aq. NaOH / Heating 5: 96 percent / Ac2O / 4.5 h / Heating View Scheme
Multi-step reaction with 4 steps 1: HNO3; H2SO4 / 20 °C 2: H2SO4 / 100 °C 3: 94 percent / Fe; H2O; HCl / ethanol / 16 h / 95 °C 4: 96 percent / Ac2O / 4.5 h / Heating View Scheme

: 2587-00-0
2,6-dichloropyridine N-oxide

: 2589-12-0
4,6-dichloro-1H-imidazo<4,5-c>pyridine

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: HNO3; H2SO4 / 160 °C 2: AcOH; Fe / Heating 3: HNO3; H2SO4 / 20 °C 4: H2SO4 / 100 °C 5: 51 percent / Fe / 2 h / Heating 6: aq. NaOH / Heating 7: 96 percent / Ac2O / 4.5 h / Heating View Scheme
Multi-step reaction with 6 steps 1: HNO3; H2SO4 / 160 °C 2: AcOH; Fe / Heating 3: HNO3; H2SO4 / 20 °C 4: H2SO4 / 100 °C 5: 94 percent / Fe; H2O; HCl / ethanol / 16 h / 95 °C 6: 96 percent / Ac2O / 4.5 h / Heating View Scheme

: 2587-03-3
2,6-dichloro-N-nitro-4-pyridinamine

: 2589-12-0
4,6-dichloro-1H-imidazo<4,5-c>pyridine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: H2SO4 / 100 °C 2: 51 percent / Fe / 2 h / Heating 3: aq. NaOH / Heating 4: 96 percent / Ac2O / 4.5 h / Heating View Scheme
Multi-step reaction with 3 steps 1: H2SO4 / 100 °C 2: 94 percent / Fe; H2O; HCl / ethanol / 16 h / 95 °C 3: 96 percent / Ac2O / 4.5 h / Heating View Scheme
Multi-step reaction with 3 steps 1.1: sulfuric acid / 1 h / 100 °C 2.1: hydrogen / methanol / 4 h 3.1: acetic anhydride / 4.5 h / 90 °C 3.2: 0.75 h / 85 - 90 °C View Scheme

: 2897-43-0
2,6-dichloro-3-nitropyridin-4-amine

: 2589-12-0
4,6-dichloro-1H-imidazo<4,5-c>pyridine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 51 percent / Fe / 2 h / Heating 2: aq. NaOH / Heating 3: 96 percent / Ac2O / 4.5 h / Heating View Scheme
Multi-step reaction with 2 steps 1: 94 percent / Fe; H2O; HCl / ethanol / 16 h / 95 °C 2: 96 percent / Ac2O / 4.5 h / Heating View Scheme
Multi-step reaction with 3 steps 1: iron; hydrogenchloride / water; ethanol / 16 h / Reflux 2: 5 h / 145 °C 3: formic acid / 5 h / 110 °C View Scheme
Multi-step reaction with 2 steps 1.1: hydrogen / methanol / 4 h 2.1: acetic anhydride / 4.5 h / 90 °C 2.2: 0.75 h / 85 - 90 °C View Scheme

: 25194-01-8
2,6-dichloro-4-nitro-pyridine

: 2589-12-0
4,6-dichloro-1H-imidazo<4,5-c>pyridine

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: AcOH; Fe / Heating 2: HNO3; H2SO4 / 20 °C 3: H2SO4 / 100 °C 4: 51 percent / Fe / 2 h / Heating 5: aq. NaOH / Heating 6: 96 percent / Ac2O / 4.5 h / Heating View Scheme
Multi-step reaction with 5 steps 1: AcOH; Fe / Heating 2: HNO3; H2SO4 / 20 °C 3: H2SO4 / 100 °C 4: 94 percent / Fe; H2O; HCl / ethanol / 16 h / 95 °C 5: 96 percent / Ac2O / 4.5 h / Heating View Scheme

: 101079-63-4
3,4-diamino-2,6-dichloropyridine

: 2589-12-0
4,6-dichloro-1H-imidazo<4,5-c>pyridine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 5 h / 145 °C 2: formic acid / 5 h / 110 °C View Scheme

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Specification

The 4,6-Dichloro-1H-imidazo[4,5-c]pyridine, with the CAS registry number 2589-12-0, is also known as ZINC13283647. This chemical's molecular formula is C₆H₃Cl₂N₃ and molecular weight is 188.01. Its IUPAC name is called 4,6-dichloro-1H-imidazo[4,5-c]pyridine.

Physical properties of 4,6-Dichloro-1H-imidazo[4,5-c]pyridine: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.66; (6)ACD/BCF (pH 7.4): 7.97; (7)ACD/KOC (pH 5.5): 163.01; (8)ACD/KOC (pH 7.4): 150.02; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.723; (13)Molar Refractivity: 44.5 cm³; (14)Molar Volume: 112.2 cm³; (15)Surface Tension: 75.4 dyne/cm; (16)Density: 1.675 g/cm³; (17)Flash Point: 277.9 °C; (18)Enthalpy of Vaporization: 71.94 kJ/mol; (19)Boiling Point: 482.9 °C at 760 mmHg; (20)Vapour Pressure: 5.15E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C2C(=C(N=C1Cl)Cl)N=CN2
(2)InChI: InChI=1S/C6H3Cl2N3/c7-4-1-3-5(6(8)11-4)10-2-9-3/h1-2H,(H,9,10)
(3)InChIKey: FDXNZTUWNBRZDX-UHFFFAOYSA-N