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CAS No.: | 19261-06-4 |
---|---|
Name: | Dibenzofuran-4-ol |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C12H8O2 |
Molecular Weight: | 184.194 |
Synonyms: | 4-Dibenzofuranol;Dibenzo[b,d]furan-4-ol; |
Density: | 1.326 g/cm3 |
Melting Point: | 125℃ |
Boiling Point: | 358.7 °C at 760 mmHg |
Flash Point: | 170.7 °C |
PSA: | 33.37000 |
LogP: | 3.29160 |
4-methoxydibenzo[b,d]furan
4-hydroxydibenzofuran
Conditions | Yield |
---|---|
With boron tribromide In dichloromethane at -78 - 20℃; | 100% |
4-hydroxydibenzofuran
Conditions | Yield |
---|---|
With Oxone; water In acetone at 20℃; for 0.0833333h; | 97% |
Conditions | Yield |
---|---|
With ammonium bicarbonate In water at 20℃; for 2h; Schlenk technique; | 96% |
4-dibenzofurylboronic acid
4-hydroxydibenzofuran
Conditions | Yield |
---|---|
With dihydrogen peroxide In water at 20℃; for 0.0833333h; | 95% |
With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran at 20℃; for 24h; | 94% |
With copper(II) ferrite; water; sodium hydroxide at 40℃; for 24h; Green chemistry; | 93% |
dibenzofuran
4-hydroxydibenzofuran
Conditions | Yield |
---|---|
Stage #1: dibenzofuran With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In hexanes; diethyl ether for 1h; Heating / reflux; Stage #2: With boric acid tributyl ester In hexanes; diethyl ether at 0 - 20℃; Stage #3: With dihydrogen peroxide In hexanes; diethyl ether; water at 0℃; for 1.5h; Heating / reflux; | 81% |
Stage #1: dibenzofuran With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In diethyl ether; hexane for 1h; Heating; Stage #2: With boric acid tributyl ester In diethyl ether; hexane at 20℃; for 1h; Stage #3: With dihydrogen peroxide In diethyl ether; hexane; water for 1.5h; Heating; | 71% |
Stage #1: dibenzofuran With n-butyllithium In tetrahydrofuran at -78 - 40℃; for 18h; Stage #2: With methylmagnesium bromide In tetrahydrofuran at -5 - 20℃; for 1h; Stage #3: With hydrogenchloride; water; oxygen more than 3 stages; | 47% |
Conditions | Yield |
---|---|
With n-butyllithium; diethyl ether anschl. mit Butylmagnesiumbromid in Aether und mit Sauerstoff; |
2-chloro-dibenzofuran-4-ol
4-hydroxydibenzofuran
Conditions | Yield |
---|---|
With palladium on activated charcoal; Lindlar's catalyst; ethanol |
4-acetoxydibenzofuran
S-benzylcysteine methyl ester
A
4-hydroxydibenzofuran
B
(+)-2-acetamido-3-benzylthiopropanoic acid methyl ester
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 25℃; Rate constant; |
4-acetoxydibenzofuran
S-benzyl-L-cysteine ethyl ester
A
4-hydroxydibenzofuran
B
(R)-2-Acetylamino-3-benzylsulfanyl-propionic acid ethyl ester
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 25℃; Rate constant; |
phenol
A
2-hydroxydibenzofuran
B
4-hydroxydibenzofuran
C
2-Phenoxyphenol
D
2,2'-dihydroxybiphenyl
Conditions | Yield |
---|---|
With oxygen In benzene at 499.84℃; for 0.0125h; Product distribution; Further Variations:; Reagents; Temperatures; slow combustion; |
The Dibenzofuran-4-ol, with the CAS registry number 19261-06-4, is also known as 4-Dibenzofuranol. This chemical's molecular formula is C12H8O2 and molecular weight is 184.19. What's more, its systematic name is dibenzo[b,d]furan-4-ol.
Physical properties of Dibenzofuran-4-ol are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 219.49; (6)ACD/BCF (pH 7.4): 212.58; (7)ACD/KOC (pH 5.5): 1650.21; (8)ACD/KOC (pH 7.4): 1598.24; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.37 Å2; (13)Index of Refraction: 1.741; (14)Molar Refractivity: 56.11 cm3; (15)Molar Volume: 138.8 cm3; (16)Polarizability: 22.24×10-24cm3; (17)Surface Tension: 58.3 dyne/cm; (18)Density: 1.326 g/cm3; (19)Flash Point: 170.7 °C; (20)Enthalpy of Vaporization: 62.8 kJ/mol; (21)Boiling Point: 358.7 °C at 760 mmHg; (22)Vapour Pressure: 1.21E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)O
(2)InChI: InChI=1S/C12H8O2/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7,13H
(3)InChIKey: ZYGJIKIEQYYOKG-UHFFFAOYSA-N