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| CAS No.: | 77095-51-3 |
|---|---|
| Name: | benzofuran-6-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C9H6O3 |
| Molecular Weight: | 162.145 |
| Synonyms: | benzofuran-6-carboxylic acid;Benzofuran-6-carbonsaeure;6-BENZOFURANCARBOXYLIC ACID;2,3-DICHLORO-1-PROPANOL-D5;6-carboxy-benzofuran; |
| Density: | 1.364 g/cm3 |
| Boiling Point: | 325.559 °C at 760 mmHg |
| Flash Point: | 150.693 °C |
| PSA: | 50.44000 |
| LogP: | 2.13100 |
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 588703-29-1
methyl benzofuran-6-carboxylate
- 77095-51-3
benzofuran-6-carboxylic acid
| Conditions | Yield |
|---|---|
| With lithium hydroxide; water In tetrahydrofuran at 20℃; for 1h; | 100% |
| Stage #1: methyl benzofuran-6-carboxylate With lithium hydroxide In methanol; water at 20℃; Stage #2: With hydrogenchloride In water | 97% |
| With water; lithium hydroxide In methanol | 97% |
- 1289646-90-7
ethyl benzofuran-6-carboxylate
- 77095-51-3
benzofuran-6-carboxylic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In tetrahydrofuran; methanol | 97% |
- 478169-68-5
methyl 3-hydroxy-4-[(trimethylsilyl)ethynyl]benzoate
- 67-56-1
methanol
- 77095-51-3
benzofuran-6-carboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: methyl 3-hydroxy-4-[(trimethylsilyl)ethynyl]benzoate With copper(l) iodide; triethylamine In ethanol at 75℃; for 3h; Stage #2: methanol With pyrographite In ethanol for 1h; Heating / reflux; Stage #3: With sodium hydroxide In ethanol at 20℃; | 93% |
- 77095-51-3
benzofuran-6-carboxylic acid
| Conditions | Yield |
|---|---|
| With copper(l) iodide; triethylamine In ethanol at 75 - 85℃; for 3h; | 92% |
- 17450-68-9
benzo[b]furan-6-carbonitrile
- 77095-51-3
benzofuran-6-carboxylic acid
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide at 90℃; | 85% |
- 123297-88-1
benzofuran-6-carboxaldehyde
- 77095-51-3
benzofuran-6-carboxylic acid
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; sodium hydroxide In water at 75 - 90℃; | 70% |
| Conditions | Yield |
|---|---|
| Stage #1: 6-bromo-benzofuran With magnesium; ethylene dibromide In tetrahydrofuran at 70℃; for 2h; Stage #2: carbon dioxide In tetrahydrofuran at -40℃; | 24% |
- 478169-68-5
methyl 3-hydroxy-4-[(trimethylsilyl)ethynyl]benzoate
- 77095-51-3
benzofuran-6-carboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: CuI; Et3N / ethanol / 3 h / 75 °C 1.2: DARCO / ethanol; methanol / 1 h / Heating 2.1: aq. NaOH / 20 °C View Scheme |
- 157942-12-6
methyl 3-hydroxy-4-iodobenzoate
- 77095-51-3
benzofuran-6-carboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: 91 percent / Pd(PPh3)2Cl2; CuI; Et3N / tetrahydrofuran; CHCl3 / 4 h / 50 °C 2.1: CuI; Et3N / ethanol / 3 h / 75 °C 2.2: DARCO / ethanol; methanol / 1 h / Heating 3.1: aq. NaOH / 20 °C View Scheme |
- 103204-81-5
3-hydroxy-4-(2-propenyl)benzoic acid
- 77095-51-3
benzofuran-6-carboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: SOCl2, DMF / 3 h 2: 0.5 h 3: 1.) O3, 2.) (CH3)2S / 1.) MeOH, -70 deg C, 15 min, 2.) MeOH, RT, overnight 4: 85percent H3PO4 / 100 °C 5: 87 percent / 35percent aq. KOH / methanol / 100 °C View Scheme |
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Specification
The 6-Benzofurancarboxylicacid is an organic compound with the formula C9H6O3. The systematic name of this chemical is 1-benzofuran-6-carboxylic acid. With the CAS registry number 77095-51-3, it is also named as Benzofuran-6-carboxylic acid.
Physical properties about 6-Benzofurancarboxylicacid are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 15; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.44 Å2; (11)Index of Refraction: 1.649; (12)Molar Refractivity: 43.325 cm3; (13)Molar Volume: 118.873 cm3; (14)Polarizability: 17.175×10-24cm3; (15)Surface Tension: 57.41 dyne/cm; (16)Density: 1.364 g/cm3; (17)Flash Point: 150.693 °C; (18)Enthalpy of Vaporization: 59.927 kJ/mol; (19)Boiling Point: 325.559 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc2ccoc2c1
(2)InChI: InChI=1/C9H6O3/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-5H,(H,10,11)
(3)InChIKey: RVDHGRQELZPGCO-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H6O3/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-5H,(H,10,11)
(5)Std. InChIKey: RVDHGRQELZPGCO-UHFFFAOYSA-N