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| CAS No.: | 58059-31-7 |
|---|---|
| Name: | 3-CHLORO-6-(4-METHOXYPHENYL)-PYRIDAZINE |
| Article Data: | 12 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H9ClN2O |
| Molecular Weight: | 220.658 |
| Synonyms: | Pyridazine,3-chloro-6-(p-methoxyphenyl)- (7CI);3-Chloro-6-(4-methoxyphenyl)pyridazine; |
| Density: | 1.246 g/cm3 |
| Melting Point: | 160 °C |
| Boiling Point: | 407.764 °C at 760 mmHg |
| Flash Point: | 200.409 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 35.01000 |
| LogP: | 2.80560 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 2166-33-8
6-(4-methoxyphenyl)-2H-pyridazin-3-one
- 58059-31-7
3-chloro-6-(4-methoxyphenyl)pyridazine
| Conditions | Yield |
|---|---|
| With isocyanate de chlorosulfonyle In acetonitrile at 60 - 65℃; for 3.5h; | 82% |
| With trichlorophosphate at 85 - 95℃; for 4h; | |
| With trichlorophosphate Heating; |
- 33397-21-6
tris(4-methoxyphenyl)bismuth
- 135034-10-5
3-chloro-6-iodopyridazine
- 58059-31-7
3-chloro-6-(4-methoxyphenyl)pyridazine
| Conditions | Yield |
|---|---|
| With palladium diacetate; triphenylphosphine In N,N-dimethyl-formamide at 90℃; for 4h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; chemoselective reaction; | 82% |
- 5720-07-0
4-methoxyphenylboronic acid
- 135034-10-5
3-chloro-6-iodopyridazine
A
- 2166-07-6
3,6-bis-(4-methoxyphenyl)-pyridazine
B
- 58059-31-7
3-chloro-6-(4-methoxyphenyl)pyridazine
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In 1,4-dioxane Suzuki Coupling; Heating; Inert atmosphere; chemoselective reaction; | A 15% B 70% |
- 141-30-0
3,6-dichlorpyridazine
- 5720-07-0
4-methoxyphenylboronic acid
- 58059-31-7
3-chloro-6-(4-methoxyphenyl)pyridazine
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In 1,4-dioxane Suzuki Coupling; Heating; Inert atmosphere; chemoselective reaction; | 58% |
| With potassium phosphate tribasic trihydrate; (2-mesityl-1H-inden-3-yl)dicyclohexyl phosphine; palladium diacetate; Aliquat 336 In water at 20 - 100℃; for 8h; Suzuki-Miyaura Coupling; Inert atmosphere; | 43% |
| With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In ethanol; water; toluene at 80℃; for 16h; |
- 141-30-0
3,6-dichlorpyridazine
- 33397-21-6
tris(4-methoxyphenyl)bismuth
A
- 2132-80-1
4,4'-Dimethoxybiphenyl
B
- 58059-31-7
3-chloro-6-(4-methoxyphenyl)pyridazine
| Conditions | Yield |
|---|---|
| With palladium diacetate; triphenylphosphine; cesium fluoride In N,N-dimethyl-formamide at 90℃; Inert atmosphere; chemoselective reaction; | A 17 %Chromat. B 43% |
- 2166-33-8
6-(4-methoxy-phenyl)-2H-pyridazin-3-one
- 58059-31-7
3-chloro-6-(4-methoxyphenyl)pyridazine
| Conditions | Yield |
|---|---|
| With trichlorophosphate at 0℃; for 6h; Heating / reflux; | 40% |
- 141-30-0
3,6-dichlorpyridazine
- 93296-09-4
4-methoxyphenylzinc chloride
A
- 2166-07-6
3,6-bis-(4-methoxyphenyl)-pyridazine
B
- 58059-31-7
3-chloro-6-(4-methoxyphenyl)pyridazine
| Conditions | Yield |
|---|---|
| tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 20℃; for 24h; |
- 141-30-0
3,6-dichlorpyridazine
- 33397-21-6
tris(4-methoxyphenyl)bismuth
- 58059-31-7
3-chloro-6-(4-methoxyphenyl)pyridazine
| Conditions | Yield |
|---|---|
| With palladium diacetate; triphenylphosphine; cesium fluoride In N,N-dimethyl-formamide at 90℃; Reagent/catalyst; Inert atmosphere; chemoselective reaction; |
- 58059-31-7
3-chloro-6-(4-methoxyphenyl)pyridazine
| Conditions | Yield |
|---|---|
| With trichlorophosphate |
- 100-06-1
1-(4-methoxyphenyl)ethanone
- 58059-31-7
3-chloro-6-(4-methoxyphenyl)pyridazine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: acetic acid / Reflux 1.2: 2 h / Reflux 2.1: trichlorophosphate / Heating View Scheme |
- Total:13 Page 1 of 1 1
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Specification
The Pyridazine, 3-chloro-6-(4-methoxyphenyl)-, with the CAS registry number of 58059-31-7, is also known as Pyridazine, 3-chloro-6-(p-methoxyphenyl)- (7CI). This chemical's molecular formula is C11H9ClN2O and molecular weight is 220.65. What's more, its systematic name is called 3-Chloro-6-(4-methoxyphenyl)pyridazine.
Physical properties about Pyridazine, 3-chloro-6-(4-methoxyphenyl)- are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 188; (8)ACD/KOC (pH 7.4): 188; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 58.601 cm3; (15)Molar Volume: 177.119 cm3; (16)Surface Tension: 46.079 dyne/cm; (17)Density: 1.246 g/cm3; (18)Flash Point: 200.409 °C; (19)Enthalpy of Vaporization: 63.404 kJ/mol; (20)Boiling Point: 407.764 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(cc1)c2ccc(Cl)nn2
(2) InChI: InChI=1/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)10-6-7-11(12)14-13-10/h2-7H,1H3
(3) InChIKey: TZBSFHQGJIBFLX-UHFFFAOYAX