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Cas Database |
| Name |
Phenol,4,4'-(2-pyridinylmethylene)bis- |
EINECS | 210-039-7 |
| CAS No. | 603-41-8 | Density | 1.244 g/cm3 |
| PSA | 53.35000 | LogP | 3.67300 |
| Solubility | N/A | Melting Point |
>200°C (dec.) |
| Formula | C18H15NO2 | Boiling Point | 462.1 °C at 760 mmHg |
| Molecular Weight | 277.323 | Flash Point | 233.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Phenol,4,4'-(2-pyridylmethylene)di- (6CI,7CI,8CI);4,4'-Dihydroxydiphenyl(2-pyridyl)methane;Bis(4-hydroxyphenyl)(2-pyridyl)methane;DDPM;Deacetylbisacodyl;La 96;4,4'-(Pyridin-2-ylmethanediyl)diphenol; |
Article Data | 33 |
Phenol,4,4'-(2-pyridinylmethylene)bis- Synthetic route
- 603-41-8
4,4'-(2-pyridylmethylene)diphenol
| Conditions | Yield |
|---|---|
| With nickel aluminum; sodium hydroxide at 20℃; for 9h; Concentration; | 95.7% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol; water at 20℃; for 72h; | 92% |
| With sodium hydroxide In water; acetonitrile at 50℃; for 5h; Temperature; | 10.99 g |
- 78539-92-1
3-(4-methoxyphenyl)-[1,2,3]triazolo[1,5-a]pyridine
- 159191-56-7
(4-((tert-butyldimethylsilyl)oxy)phenyl)boronic acid
- 603-41-8
4,4'-(2-pyridylmethylene)diphenol
| Conditions | Yield |
|---|---|
| Stage #1: 3-(4-methoxyphenyl)-[l,2,3]triazolo[1,5-a]pyridine; (4-((tert-butyldimethylsilyl)oxy)phenyl)boronic acid With potassium carbonate In benzene at 20℃; for 10h; UV-irradiation; Stage #2: With hydrogen bromide; acetic acid Reflux; | 80% |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 0 - 20℃; for 3h; | 71.1% |
| Stage #1: phenol With sulfuric acid; alpha cyclodextrin at 20℃; Large scale; Stage #2: pyridine-2-carbaldehyde Large scale; | 59.4% |
| With sulfuric acid |
- 33455-95-7
4-hydroxyphenyl(2-pyridyl) carbinol
- 108-95-2
phenol
- 603-41-8
4,4'-(2-pyridylmethylene)diphenol
| Conditions | Yield |
|---|---|
| With phosphoric acid In water at 100℃; for 0.5h; | 69% |
- 85171-91-1
4,4'-(pyridin-2-ylmethylene)dianiline
- 603-41-8
4,4'-(2-pyridylmethylene)diphenol
| Conditions | Yield |
|---|---|
| With sulfuric acid; sodium nitrite |
- 67916-54-5
di[4'',4'''-di(methoxy)phenyl](2'-pyridyl)methanol
- 603-41-8
4,4'-(2-pyridylmethylene)diphenol
| Conditions | Yield |
|---|---|
| With hydrogen iodide | |
| With hydrogen iodide; acetic acid at 100℃; for 6h; Reagent/catalyst; Large scale; | 1.6 kg |
- 94871-89-3
bis-(4-methoxy-phenyl)-[2]pyridyl-acetonitrile
- 603-41-8
4,4'-(2-pyridylmethylene)diphenol
| Conditions | Yield |
|---|---|
| With hydrogen bromide Erwaermen des Reaktionsprodukts mit wss.Kalilauge; |
| Conditions | Yield |
|---|---|
| With sulfuric acid | |
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| With sulfuric acid | |
| With sulfuric acid |
Phenol,4,4'-(2-pyridinylmethylene)bis- Specification
The Phenol,4,4'-(2-pyridinylmethylene)bis-, with the CAS registry number 603-41-8, is also known as Bis(4-hydroxyphenyl)(2-pyridyl)methane. This chemical's molecular formula is C18H15NO2 and molecular weight is 277.32. What's more, its systematic name is 4,4'-(Pyridin-2-ylmethanediyl)diphenol and its EINECS number is 210-039-7. Besides, it belongs to the product categories of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals.
Physical properties of Phenol,4,4'-(2-pyridinylmethylene)bis- are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 58.33; (6)ACD/BCF (pH 7.4): 68.37; (7)ACD/KOC (pH 5.5): 608.86; (8)ACD/KOC (pH 7.4): 713.63; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 31.35 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 81.82 cm3; (15)Molar Volume: 222.7 cm3; (16)Polarizability: 32.43×10-24 cm3; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 233.3 °C; (20)Enthalpy of Vaporization: 75.08 kJ/mol; (21)Boiling Point: 462.1 °C at 760 mmHg; (22)Vapour Pressure: 3.68E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)C(c2ccc(O)cc2)c3ncccc3
(2)InChI: InChI=1/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H
(3)InChIKey: LJROKJGQSPMTKB-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 8550 mg/kg (8550 mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Nara Igaku Zasshi. Journal of the Nara Medical Association. Vol. 28, Pg. 258, 1977. |
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