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Cas Database |
| Name |
2-(4-Hydroxyphenyl)benzo[b]thiophene-6-ol |
EINECS | N/A |
| CAS No. | 63676-22-2 | Density | 1.383 g/cm3 |
| PSA | 68.70000 | LogP | 3.97950 |
| Solubility | N/A | Melting Point |
295 °C(dec.) |
| Formula | C14H10O2S | Boiling Point | 477 °C at 760 mmHg |
| Molecular Weight | 242.298 | Flash Point | 242.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-(4-hydroxyphenyl)-Benzo[b]thiophene-6-ol |
Article Data | 10 |
2-(4-Hydroxyphenyl)benzo[b]thiophene-6-ol Synthetic route
- 63675-74-1
2-(4'-methoxyphenyl)-6-methoxybenzothiophene
- 63676-22-2
6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene
| Conditions | Yield |
|---|---|
| With boron tribromide In dichloromethane at 0 - 5℃; | 89.3% |
| With pyridine hydrochloride at 190℃; for 1h; | 87% |
| With pyridine hydrochloride at 180℃; for 1h; | 87% |
- 90560-10-4
6-methoxy-benzo[b]thiophene
- 63676-22-2
6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: BuLi 1.2: B(OiPr)3 1.3: HCl 2.1: Na2CO3; Pd(PPh3)4 3.1: BBr3 View Scheme |
- 15570-12-4
3-methoxybenzenethiol
- 63676-22-2
6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: K2CO3 / acetone 1.2: BF3*Et2O 2.1: BuLi 2.2: B(OiPr)3 2.3: HCl 3.1: Na2CO3; Pd(PPh3)4 4.1: BBr3 View Scheme |
- 182133-35-3
6-methoxy-benzo[b]thiophen-2-yl boronic acid
- 63676-22-2
6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Na2CO3; Pd(PPh3)4 2: BBr3 View Scheme |
- 15570-12-4
3-methoxybenzenethiol
- 63676-22-2
6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 80.4 percent / KOH / ethanol; H2O; ethyl acetate / Ambient temperature 2: 69 percent / PPA / 1 h / 85 - 90 °C 3: 71 percent / pyridine hydrochloride / 6 h / 220 °C View Scheme |
- 63675-73-0
α-(3-methoxyphenyl-thio)-4-methoxyacetophenone
- 63676-22-2
6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 69 percent / PPA / 1 h / 85 - 90 °C 2: 71 percent / pyridine hydrochloride / 6 h / 220 °C View Scheme |
- 2632-13-5
2-Bromo-4'-methoxyacetophenone
- 63676-22-2
6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 80.4 percent / KOH / ethanol; H2O; ethyl acetate / Ambient temperature 2: 69 percent / PPA / 1 h / 85 - 90 °C 3: 71 percent / pyridine hydrochloride / 6 h / 220 °C View Scheme |
- 98-88-4
benzoyl chloride
- 63676-22-2
6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene
- 84449-64-9
6-(benzoyloxy)-2-<4-(benzoyloxy)phenyl>benzothiophene
| Conditions | Yield |
|---|---|
| With pyridine; dmap Ambient temperature; | 99% |
- 124-63-0
methanesulfonyl chloride
- 63676-22-2
6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene
- 84449-65-0
6-<(methylsulfonyl)oxy>-2-<4-<(methylsulfonyl)oxy>phenyl>benzothiophene
| Conditions | Yield |
|---|---|
| With pyridine; dmap Ambient temperature; | 99% |
- 108-24-7
acetic anhydride
- 63676-22-2
6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene
- 84449-63-8
6-acetoxy-2-(4-acetoxyphenyl)benzo[b]thiophene
| Conditions | Yield |
|---|---|
| With pyridine; dmap Ambient temperature; | 97% |
2-(4-Hydroxyphenyl)benzo[b]thiophene-6-ol Specification
The 2-(4-Hydroxyphenyl)benzo[b]thiophene-6-ol is an organic compound with the formula C14H10O2S. The systematic name of this chemical is 2-(4-hydroxyphenyl)-1-benzothiophene-6-ol and the CAS registry number is 63676-22-2. In addition, the molecular weight is 242.29.
The other characteristics of 2-(4-Hydroxyphenyl)benzo[b]thiophene-6-ol can be summarized as: (1)ACD/LogP: 4.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 46.7 Å2; (7)Index of Refraction: 1.742; (8)Molar Refractivity: 70.83 cm3; (9)Molar Volume: 175.1 cm3; (10)Polarizability: 28.08×10-24 cm3; (11)Surface Tension: 65.1 dyne/cm; (12)Density: 1.383 g/cm3; (13)Flash Point: 242.3 °C; (14)Enthalpy of Vaporization: 76.91 kJ/mol; (15)Boiling Point: 477 °C at 760 mmHg; (16)Vapour Pressure: 1.01E-09 mmHg at 25°C。
People can use the following data to convert to the molecule structure.
1. SMILES:Oc3ccc(c2sc1cc(O)ccc1c2)cc3
2. InChI:InChI=1/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
3. InChIKey:MDGWZLQPNOETLH-UHFFFAOYAR
4. Std. InChI:InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
5. Std. InChIKey:MDGWZLQPNOETLH-UHFFFAOYSA-N
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