CAS No.332012-40-5,Telatinib Suppliers

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Basic Information

Molecular Structure:
CAS No.:	332012-40-5
Name:	Telatinib
Article Data:	4

Formula:	C₂₀H₁₆ClN₅O₃
Molecular Weight:	409.832
Synonyms:	Bay57-9352;Telatinib [INN];4-[[4-(4-Chloroanilino)furo[2,3-d]pyridazin-7-yl]oxymethyl]-N-methylpyridine-2-carboxamide;BAY-579352;2-Pyridinecarboxamide,4-[[[4-[(4-chlorophenyl)amino]furo[2,3-d]pyridazin-7-yl]oxy]methyl]-N-methyl-;UNII-18P7197Q7J;
Density:	1.418 g/cm³
Boiling Point:	713.595 °C at 760 mmHg
Flash Point:	385.368 °C
PSA:	102.17000
LogP:	4.41730

Synthetic route

: 332013-43-1
4-(hydroxymethyl)-N-methylpyridine-2-carboxamide

: 332013-40-8
4-chloroanilino-7-chlorofuro[2,3-d]pyridazine

: 332012-40-5
Telatinib

Conditions

Conditions	Yield
With potassium hydroxide; 18-crown-6 ether In toluene at 83 - 87℃; Product distribution / selectivity;	46%
With potassium hydroxide; 18-crown-6 ether In toluene at 20 - 85℃;	46%

: 332013-43-1
4-(hydroxymethyl)-N-methylpyridine-2-carboxamide

: 332013-41-9
4-chloro-7-[N-(4-chlorophenyl)amino]-[2,3-d]furopyridazine

: 332012-40-5
Telatinib

Conditions

Conditions	Yield
With potassium hydroxide; 18-crown-6 ether In toluene at 20 - 87℃; Product distribution / selectivity;	46%
Stage #1: 4-(hydroxymethyl)-N-methylpyridine-2-carboxamide; 4-chloro-7-[N-(4-chlorophenyl)amino]-[2,3-d]furopyridazine; 18-crown-6 ether In toluene at 20℃; for 0.166667h; Stage #2: With potassium hydroxide In toluene at 80℃; for 24h; Product distribution / selectivity;

: 332013-40-8
4-chloroanilino-7-chlorofuro[2,3-d]pyridazine

: 1182334-19-5
2-methylaminocarbonyl-4-pyridylcarbinol hydrochloride

: 332012-40-5
Telatinib

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran; toluene at 95℃; for 24h; Temperature; Time; Autoclave;	37.7%

: 123-39-7
N-Methylformamide

: N-(4-chlorophenyl)-7-(4-pyridinylmethoxy)-furo[2,3-d]pyridazin-4-amine

A: 332012-40-5
Telatinib

B: 332012-41-6
4-(4-chlorophenylamino)-2-methylaminocarbonyl-7-(2-methylaminocarbonyl-4-pyridylmethoxy)-furo[2,3-d]pyridazine

Conditions

Conditions	Yield
With sulfuric acid; hydroxylamine-O-sulfonic acid; iron(II) sulfate In water at 20℃; for 1.83333h; Product distribution / selectivity;	A 15.2% B n/a
Stage #1: N-Methylformamide; N-(4-chlorophenyl)-7-(4-pyridinylmethoxy)-furo[2,3-d]pyridazin-4-amine With sulfuric acid; iron(II) sulfate; hydroxylamine-O-sulfonic acid In water at 20℃; for 1.83333h; Stage #2: With sodium citrate In water at 0℃; for 0.166667h; Product distribution / selectivity;	A 15.2% B n/a
With sulfuric acid; iron(II) sulfate; hydroxylamine-O-sulfonic acid In water at 20℃; for 1.66667h;	A 15.2% B n/a

...Expand

: 332013-42-0
ethyl 2-methylaminocarbonyl-4-picolinate

: 332012-40-5
Telatinib

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium tetrahydroborate / isopropyl alcohol; methanol / 8 h / 25 °C / Large scale 1.2: 1 h / 0 °C / Large scale 2.1: potassium tert-butylate / toluene; tetrahydrofuran / 24 h / 95 °C / Autoclave View Scheme
Multi-step reaction with 2 steps 1.1: sodium tetrahydroborate / ethanol / 18 h / 20 °C 1.3: pH 9 2.1: potassium hydroxide; 18-crown-6 ether / toluene / 83 - 87 °C View Scheme
Multi-step reaction with 2 steps 1: sodium tetrahydroborate / ethanol / 18 h / 20 °C 2: potassium hydroxide; 18-crown-6 ether / toluene / 20 - 85 °C View Scheme

: 13177-70-3
4,7-dichlorofuro[2,3-d]pyridazine

: 332012-40-5
Telatinib

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethanol / 4 h / Heating / reflux 2: potassium hydroxide; 18-crown-6 ether / toluene / 83 - 87 °C View Scheme
Multi-step reaction with 2 steps 1: ethanol / 4 h / Heating / reflux 2: potassium hydroxide; 18-crown-6 ether / toluene / 20 - 85 °C View Scheme

: 13177-70-3
4,7-dichlorofuro[2,3-d]pyridazine

A: 332012-40-5
Telatinib

B: 332012-41-6
4-(4-chlorophenylamino)-2-methylaminocarbonyl-7-(2-methylaminocarbonyl-4-pyridylmethoxy)-furo[2,3-d]pyridazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: ethanol / 4 h / Heating / reflux 2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / 24 h / 125 °C 3.1: sulfuric acid; iron(II) sulfate; hydroxylamine-O-sulfonic acid / water / 1.83 h / 20 °C 3.2: 0.17 h / 0 °C View Scheme
Multi-step reaction with 3 steps 1: ethanol / 4 h / Heating / reflux 2: 1,8-diazabicyclo[5.4.0]undec-7-ene / 24 h / 125 °C 3: sulfuric acid; iron(II) sulfate; hydroxylamine-O-sulfonic acid / water / 1.67 h / 20 °C View Scheme

: 1570-45-2
isonicotinic acid ethylester

: 332012-40-5
Telatinib

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sulfuric acid; dihydrogen peroxide; iron(II) sulfate / water / 0.5 h / 6 - 22 °C 1.2: pH ~ 5 2.1: sodium tetrahydroborate / ethanol / 18 h / 20 °C 2.3: pH 9 3.1: potassium hydroxide; 18-crown-6 ether / toluene / 83 - 87 °C View Scheme
Multi-step reaction with 3 steps 1: sulfuric acid; dihydrogen peroxide; iron(II) sulfate / water / 0.5 h / 6 - 22 °C 2: sodium tetrahydroborate / ethanol / 18 h / 20 °C 3: potassium hydroxide; 18-crown-6 ether / toluene / 20 - 85 °C View Scheme

: 4282-24-0
furan-2,3-dicarboxylic acid

: 332012-40-5
Telatinib

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: chloro-trimethyl-silane / 15.5 h / 20 °C 2.1: ethanol; water; hydrazine / 5.5 h / Heating / reflux 2.2: 4 h / Heating / reflux 3.1: pyridine; trichlorophosphate / 4 h / Heating / reflux 4.1: ethanol / 4 h / Heating / reflux 5.1: potassium hydroxide; 18-crown-6 ether / toluene / 83 - 87 °C View Scheme
Multi-step reaction with 5 steps 1: chloro-trimethyl-silane / 15.5 h / 20 °C 2: hydrazine / ethanol / 5.5 h / Heating / reflux 3: pyridine; trichlorophosphate / 4 h / Heating / reflux 4: ethanol / 4 h / Heating / reflux 5: potassium hydroxide; 18-crown-6 ether / toluene / 20 - 85 °C View Scheme

: 4282-24-0
furan-2,3-dicarboxylic acid

A: 332012-40-5
Telatinib

B: 332012-41-6
4-(4-chlorophenylamino)-2-methylaminocarbonyl-7-(2-methylaminocarbonyl-4-pyridylmethoxy)-furo[2,3-d]pyridazine

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: chloro-trimethyl-silane / 15.5 h / 20 °C 2.1: ethanol; water; hydrazine / 5.5 h / Heating / reflux 2.2: 4 h / Heating / reflux 3.1: pyridine; trichlorophosphate / 4 h / Heating / reflux 4.1: ethanol / 4 h / Heating / reflux 5.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / 24 h / 125 °C 6.1: sulfuric acid; iron(II) sulfate; hydroxylamine-O-sulfonic acid / water / 1.83 h / 20 °C 6.2: 0.17 h / 0 °C View Scheme
Multi-step reaction with 6 steps 1: chloro-trimethyl-silane / 15.5 h / 20 °C 2: hydrazine / ethanol / 5.5 h / Heating / reflux 3: pyridine; trichlorophosphate / 4 h / Heating / reflux 4: ethanol / 4 h / Heating / reflux 5: 1,8-diazabicyclo[5.4.0]undec-7-ene / 24 h / 125 °C 6: sulfuric acid; iron(II) sulfate; hydroxylamine-O-sulfonic acid / water / 1.67 h / 20 °C View Scheme

Yield

Multi-step reaction with 6 steps
1.1: chloro-trimethyl-silane / 15.5 h / 20 °C
2.1: ethanol; water; hydrazine / 5.5 h / Heating / reflux
2.2: 4 h / Heating / reflux
3.1: pyridine; trichlorophosphate / 4 h / Heating / reflux
4.1: ethanol / 4 h / Heating / reflux
5.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / 24 h / 125 °C
6.1: sulfuric acid; iron(II) sulfate; hydroxylamine-O-sulfonic acid / water / 1.83 h / 20 °C
6.2: 0.17 h / 0 °C
View Scheme

Multi-step reaction with 6 steps
1: chloro-trimethyl-silane / 15.5 h / 20 °C
2: hydrazine / ethanol / 5.5 h / Heating / reflux
3: pyridine; trichlorophosphate / 4 h / Heating / reflux
4: ethanol / 4 h / Heating / reflux
5: 1,8-diazabicyclo[5.4.0]undec-7-ene / 24 h / 125 °C
6: sulfuric acid; iron(II) sulfate; hydroxylamine-O-sulfonic acid / water / 1.67 h / 20 °C
View Scheme

Total:54 Page 1 of 2 1 2 Next>>

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Specification

The Telatinib, with the CAS registry number 332012-40-5, is also known as 2-Pyridinecarboxamide,4-[[[4-[(4-chlorophenyl)amino]furo[2,3-d]pyridazin-7-yl]oxy]methyl]-N-methyl-. It belongs to the product category of API. This chemical's molecular formula is C₂₀H₁₆ClN₅O₃ and molecular weight is 409.83. What's more, its systematic name is 4-[[4-(4-chloroanilino)furo[2,3-d]pyridazin-7-yl]oxymethyl]-N-methylpyridine-2-carboxamide.

Physical properties of Telatinib are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 86; (8)ACD/KOC (pH 7.4): 86; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 102.17 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 109.727 cm³; (15)Molar Volume: 289.057 cm³; (16)Polarizability: 43.499×10^-24cm³; (17)Surface Tension: 64.352 dyne/cm; (18)Density: 1.418 g/cm³; (19)Flash Point: 385.368 °C; (20)Enthalpy of Vaporization: 104.317 kJ/mol; (21)Boiling Point: 713.595 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2OC=C3)NC4=CC=C(C=C4)Cl
(2)InChI: InChI=1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)
(3)InChIKey: QFCXANHHBCGMAS-UHFFFAOYSA-N