Phenol,4,4',4''-methylidynetris- supplier

Name
4,4',4''-TRIHYDROXYTRIPHENYLMETHANE
EINECS 210-040-2
CAS No. 603-44-1
Article Data24
CAS DataBase
Density 1.282 g/cm³
Solubility
Melting Point 247 °C
Formula C₁₉H₁₆O₃
Boiling Point 503.8 °C at 760 mmHg
Molecular Weight 292.334
Flash Point 239.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Leucaurin(6CI);Phenol, 4,4',4''-methylidynetri- (7CI,8CI);4,4',4''-Methylidynetrisphenol;4,4',4''-Trihydroxyphenylmethane;4,4',4''-Trihydroxytriphenylmethane;Leucoaurin;NSC 75955;Tris(4-hydroxyphenyl)methane;Tris(p-hydroxyphenyl)methane;Trisphenol PHBA;4,4',4''-methylidynetriphenol;
PSA 60.69000
LogP 3.98360

Synthetic route

: 3010-81-9
tris(4-methoxyphenyl)methanol

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With sodium thioethylate In N,N-dimethyl-formamide for 24h; Heating;	93%
With sodium thioethylate In N,N-dimethyl-formamide for 9h; Heating;	93%

: 201230-82-2
carbon monoxide

: 108-95-2
phenol

A: 620-92-8
bis-(4-hydroxyphenyl)methane

B: 603-44-1
4,4',4''-methylidynetrisphenol

C: 123-08-0
4-hydroxy-benzaldehyde

D: 90-02-8
salicylaldehyde

Conditions

Conditions	Yield
With hydrogen fluoride; boron trifluoride at 45℃; under 37503.8 - 60006 Torr; for 4.5h; Product distribution; Further Variations:; Reagents; time;	A n/a B n/a C 80% D 6%

...Expand

: N-(4-hydroxybenzylidene)-4-methylbenzenesulfonamide

: 108-95-2
phenol

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With chloro-trimethyl-silane; bismuth(III) sulfate In dichloromethane at 20℃; for 12h; Friedel-Crafts reaction;	80%

: 603-45-2
aurin

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With sodium tetrahydroborate; acetic acid In ethanol	76%

: 123-08-0
4-hydroxy-benzaldehyde

: 108-95-2
phenol

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; zinc(II) chloride at 45℃; for 25h;	70%
With sulfuric acid; acetic acid
With phosphoric acid
With sulfuric acid In 1,4-dioxane; water at 20℃; for 6h;
With toluene-4-sulfonic acid; zinc(II) chloride

: 67-66-3
chloroform

: 100-67-4
potassium phenolate

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
bei Abwesenheit von Sauerstoff;

: 56-23-5
tetrachloromethane

: 108-95-2
phenol

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With zinc(II) chloride at 135℃;

: 603-45-2
aurin

A: 53153-46-1
5,6-dihydro-3,5,5-trimethyl-1,4-oxazin-2-one

B: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With 3,5,5-trimethyl-2-morpholinon-3-yl In dimethylsulfoxide-d6 at 50℃; Yield given. Title compound not separated from byproducts;

: 75-09-2
dichloromethane

: 108-95-2
phenol

A: 2467-03-0
2-[(4-hydroxyphenyl)methyl]phenol

B: 620-92-8
bis-(4-hydroxyphenyl)methane

C: 603-44-1
4,4',4''-methylidynetrisphenol

D: 76176-97-1
2-hydroxyphenylphenoxymethane

Conditions

Conditions	Yield
at 15℃; for 48h; Irradiation; Further byproducts given;

...Expand

: 56-23-5
tetrachloromethane

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

: 108-95-2
phenol

A: 603-45-2
aurin

B: 603-44-1
4,4',4''-methylidynetrisphenol

C: (2-Hydroxy-phenyl)-bis-(4-hydroxy-phenyl)-methanol

D 2'.4''-dioxy-fuchsone: 2'.4''-dioxy-fuchsone

Conditions

Conditions	Yield
at 135℃; Produkt: 9-<4-Oxy-phenyl>-xanthen, 9-<4-Oxy-phenyl>-fluoron;

...Expand

: 67-66-3
chloroform

: 100-67-4
potassium phenolate

nitrogen: nitrogen

A: 16737-44-3
Orthoameisensaeuretriphenylester

B: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
at 110℃;

...Expand

: 603-45-2
aurin

: 64-19-7
acetic acid

zinc: zinc

: 603-44-1
4,4',4''-methylidynetrisphenol

...Expand

: 603-45-2
aurin

zinc: zinc

alkali: alkali

: 603-44-1
4,4',4''-methylidynetrisphenol

...Expand

4'.4''-dioxy-fuchsone: 4'.4''-dioxy-fuchsone

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With sodium hydroxide; zinc
With acetic acid; zinc

diazotized <4-amino-phenyl>-bis-<4-hydroxy-phenyl>-methane: diazotized <4-amino-phenyl>-bis-<4-hydroxy-phenyl>-methane

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With water

sodium salt of/the/ aurinleucosulfinic acid: sodium salt of/the/ aurinleucosulfinic acid

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With alkaline solution

: tris-(4-hydroxy-phenyl)-methanesulfinic acid ; sodium salt

alkalies: alkalies

A: 603-44-1
4,4',4''-methylidynetrisphenol

B sodium sulfite: sodium sulfite

Conditions

Conditions	Yield
Erwaermen;

...Expand

: 104-92-7
1-bromo-4-methoxy-benzene

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 51 percent 2: 93 percent / NaSEt / dimethylformamide / 24 h / Heating View Scheme

: 90-96-0
bis(p-methoxyphenyl)methanone

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 51 percent 2: 93 percent / NaSEt / dimethylformamide / 24 h / Heating View Scheme

: 110-87-2
3,4-dihydro-2H-pyran

: 79-08-3
bromoacetic acid

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In tetrahydrofuran

: 4''-hydroxy-4,4'-dimethoxytriphenylmethane

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at -78 - 20℃;

: 50-00-0
formaldehyd

: 603-44-1
4,4',4''-methylidynetrisphenol

: 124-40-3
dimethyl amine

: 1272320-14-5
2,2',2'',6,6',6''-hexakis(dimethylaminomethyl)-4,4',4''-trihydroxytriphenylmethane

Conditions

Conditions	Yield
In ethanol; water at 0 - 100℃;	95%

...Expand

: 603-44-1
4,4',4''-methylidynetrisphenol

: 36451-09-9
1,2-naphthoquinone-2-diazide-4-sulfonyl chloride

: C49H28N6O12S3

Conditions

Conditions	Yield
With triethylamine In acetone at 20℃; for 3h;	89.5%

: 603-44-1
4,4',4''-methylidynetrisphenol

: 762-04-9
phosphonic acid diethyl ester

: 1262222-43-4
C31H43O12P3

Conditions

Conditions	Yield
With triethylamine In tetrachloromethane at 0 - 20℃; for 17h;	89%

: 603-44-1
4,4',4''-methylidynetrisphenol

: 3,5-bis(benzylamino)benzoic acid

: C82H70N6O6

Conditions

Conditions	Yield
With 2-(dimethylamino)pyridinium p-toluenesulfonate; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 0.5h;	81%

: 421-83-0
trifluoromethane sulfonyl chloride

: 603-44-1
4,4',4''-methylidynetrisphenol

: 848859-63-2
trifluoromethanesulfonic acid methylidynetri-4,1-phenylene ester

Conditions

Conditions	Yield
With dmap; triethylamine In acetone at 0℃; for 3h;	80%

: 358-23-6
trifluoromethylsulfonic anhydride

: 603-44-1
4,4',4''-methylidynetrisphenol

: 848859-63-2
trifluoromethanesulfonic acid methylidynetri-4,1-phenylene ester

Conditions

Conditions	Yield
With pyridine at 0 - 20℃; for 12h; Inert atmosphere;	80%

: 603-44-1
4,4',4''-methylidynetrisphenol

: 869-24-9
2-chloro-N,N-diethylethylamine hydrochloride

: 1206894-03-2
2,2',2''-(4,4',4''-methanetriyltris(benzene-4,1-diyl)tris(oxy))tris(N,N-diethylethanamine)

Conditions

Conditions	Yield
With potassium carbonate In acetone Reflux;	79%

: 603-44-1
4,4',4''-methylidynetrisphenol

: 106-96-7
propargyl bromide

: 122035-55-6
Tris<4-(2-propinyloxy)phenyl>methan

Conditions

Conditions	Yield
With potassium carbonate In acetone for 3h; Heating;	74%

: 603-44-1
4,4',4''-methylidynetrisphenol

: 106-96-7
propargyl bromide

A: 122035-55-6
Tris<4-(2-propinyloxy)phenyl>methan

B: 140149-18-4
(4-Hydroxyphenyl)bis<4-(2-propinyloxy)phenyl>methan

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 5h;	A 74% B 19%

...Expand

: 603-44-1
4,4',4''-methylidynetrisphenol

: C49H44N2O6

: C166H142N6O18

Conditions

Conditions	Yield
With 2-(dimethylamino)pyridinium p-toluenesulfonate; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 0.5h;	70%

: 603-44-1
4,4',4''-methylidynetrisphenol

: 106-96-7
propargyl bromide

: 140149-18-4
(4-Hydroxyphenyl)bis<4-(2-propinyloxy)phenyl>methan

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 5h;	69%

: 16004-15-2
1-bromomethyl-4-iodobenzene

: 603-44-1
4,4',4''-methylidynetrisphenol

: tris(4((4-iodobenzyl)oxy)phenyl)methane

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 60℃; for 10h; Inert atmosphere;	69%

: 5197-62-6
2-[2-(chloroethoxy)ethoxy]ethanol

: 603-44-1
4,4',4''-methylidynetrisphenol

: 1239678-24-0
C37H52O12

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 100℃;	65%

: 110-91-8
morpholine

: 50-00-0
formaldehyd

: 603-44-1
4,4',4''-methylidynetrisphenol

: 946513-74-2
tris(4-hydroxy-3-morpholinomethylphenyl)methane

Conditions

Conditions	Yield
Stage #1: morpholine; 4,4',4''-methylidynetrisphenol In toluene at 25℃; for 0.5h; Stage #2: formaldehyd In toluene at 39 - 45℃; for 17h; Stage #3: morpholine; formaldehyd In toluene for 6.16667h;	63.9%

...Expand

: 603-44-1
4,4',4''-methylidynetrisphenol

: 162709-84-4
3,4,5-tris(n-dodecan-1-yloxy)benzyl chloride

: 1063745-70-9
tris[4-(3,4,5-tridodecyloxybenzyloxy)phenyl]methane

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 6h;	61%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 603-44-1
4,4',4''-methylidynetrisphenol

: C167H144N6O18

Conditions

Conditions	Yield
With 2-(dimethylamino)pyridinium p-toluenesulfonate; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 0.5h;	49%

: 603-44-1
4,4',4''-methylidynetrisphenol

: 589-10-6
phenoxyethyl bromide

: 1632225-39-8
C35H32O5

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 24h;	40%

: 603-44-1
4,4',4''-methylidynetrisphenol

: 589-10-6
phenoxyethyl bromide

: 1632225-42-3
C43H40O6

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 24h;	25%

: 603-44-1
4,4',4''-methylidynetrisphenol

: 108-24-7
acetic anhydride

: tris-(4-acetoxy-phenyl)-methane

: 603-44-1
4,4',4''-methylidynetrisphenol

: 98-88-4
benzoyl chloride

: tris-(4-benzoyloxy-phenyl)-methane

: 603-44-1
4,4',4''-methylidynetrisphenol

: 75-36-5
acetyl chloride

: tris-(4-acetoxy-phenyl)-methane

: 603-44-1
4,4',4''-methylidynetrisphenol

: 77-78-1
dimethyl sulfate

: 7511-68-4
tris(4-methoxyphenyl)methane

Phenol,4,4',4''-methylidynetris- Specification

The Phenol,4,4',4''-methylidynetris-, with CAS registry number 603-44-1, has the systematic name of 4,4',4''-methanetriyltriphenol. And its IUPAC name is 4-[bis(4-hydroxyphenyl)methyl]phenol. Besides this, it is also called 4,4',4''-Trihydroxytriphenylmethane. And the chemical formula of this chemical is C₁₉H₁₆O₃.

Physical properties of Phenol,4,4',4''-methylidynetris-: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 259.83; (6)ACD/BCF (pH 7.4): 257.78; (7)ACD/KOC (pH 5.5): 1862.2; (8)ACD/KOC (pH 7.4): 1847.54; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 85.61 cm³; (15)Molar Volume: 227.9 cm³; (16)Polarizability: 33.93×10^-24cm³; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.282 g/cm³; (19)Flash Point: 239.6 °C; (20)Enthalpy of Vaporization: 80.24 kJ/mol; (21)Boiling Point: 503.8 °C at 760 mmHg; (22)Vapour Pressure: 8.98E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by Tris-(4-methoxy-phenyl)-methanol. This reaction will need reagent NaSEt and solvent dimethylformamide. The reaction time is 1 day(s). The yield is about 93%.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccc(O)cc3
(2)InChI: InChI=1/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H
(3)InChIKey: WFCQTAXSWSWIHS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H
(5)Std. InChIKey: WFCQTAXSWSWIHS-UHFFFAOYSA-N

Product Name

4,4',4''-TRIHYDROXYTRIPHENYLMETHANE

Synthetic route

Phenol,4,4',4''-methylidynetris- Specification

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