CAS No.603-41-8,p,p'-(2-pyridylmethylene)bisphenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	603-41-8
Name:	p,p'-(2-pyridylmethylene)bisphenol
Article Data:	33

Formula:	C₁₈H₁₅NO₂
Molecular Weight:	277.323
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;
EINECS:	210-039-7
Density:	1.244 g/cm³
Melting Point:	>200°C (dec.)
Boiling Point:	462.1 °C at 760 mmHg
Flash Point:	233.3 °C
PSA:	53.35000
LogP:	3.67300

Synthetic route

: 3,3'-dichloro-4,4'-(pyridin-2-ylmethylene)diphenol

: 603-41-8
4,4'-(2-pyridylmethylene)diphenol

Conditions

Conditions	Yield
With nickel aluminum; sodium hydroxide at 20℃; for 9h; Concentration;	95.7%

: 603-50-9
bisacodyl

: 603-41-8
4,4'-(2-pyridylmethylene)diphenol

Conditions

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

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%

: 1121-60-4
pyridine-2-carbaldehyde

: 108-95-2
phenol

: 603-41-8
4,4'-(2-pyridylmethylene)diphenol

Conditions

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

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

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

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

Conditions	Yield
With hydrogen bromide Erwaermen des Reaktionsprodukts mit wss.Kalilauge;

: 27443-37-4
2-diethoxymethyl-pyridine

: 108-95-2
phenol

: 603-41-8
4,4'-(2-pyridylmethylene)diphenol

Conditions

Conditions	Yield
With sulfuric acid
With sulfuric acid

: 108-95-2
phenol

sodium-salt of/the/ hydroxy-<2>pyridyl-methanesulfonic acid: sodium-salt of/the/ hydroxy-<2>pyridyl-methanesulfonic acid

: 603-41-8
4,4'-(2-pyridylmethylene)diphenol

Conditions

Conditions	Yield
With sulfuric acid
With sulfuric acid

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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^-24cm³; (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.