6-Benzofurancarboxylicacid supplier

Name
benzofuran-6-carboxylic acid
EINECS
CAS No. 77095-51-3
Density 1.364 g/cm³
Solubility
Melting Point
Formula C₉H₆O₃
Boiling Point 325.559 °C at 760 mmHg
Molecular Weight 162.145
Flash Point 150.693 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms benzofuran-6-carboxylic acid;Benzofuran-6-carbonsaeure;6-BENZOFURANCARBOXYLIC ACID;2,3-DICHLORO-1-PROPANOL-D5;6-carboxy-benzofuran;
PSA 50.44000
LogP 2.13100

Synthetic route

: 588703-29-1
methyl benzofuran-6-carboxylate

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

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

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

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%

: C12H14O3Si

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

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

Conditions	Yield
With water; sodium hydroxide at 90℃;	85%

: 123297-88-1
benzofuran-6-carboxaldehyde

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; sodium hydroxide In water at 75 - 90℃;	70%

: 124-38-9
carbon dioxide

: 128851-73-0
6-bromo-benzofuran

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

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

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

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

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

: 79250-46-7
methyl 3-(prop-2-enyloxy)benzoate

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 27 percent / 1 h / 230 °C 2: SOCl2, DMF / 3 h 3: 0.5 h 4: 1.) O3, 2.) (CH3)2S / 1.) MeOH, -70 deg C, 15 min, 2.) MeOH, RT, overnight 5: 85percent H3PO4 / 100 °C 6: 87 percent / 35percent aq. KOH / methanol / 100 °C View Scheme

: 79950-41-7
methyl 3-hydroxy-4-(2-propenyl)benzoate

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1.) O3, 2.) (CH3)2S / 1.) MeOH, -70 deg C, 15 min, 2.) MeOH, RT, overnight 2: 85percent H3PO4 / 100 °C 3: 87 percent / 35percent aq. KOH / methanol / 100 °C View Scheme

: 4-Allyl-3-hydroxy-benzoyl chloride

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 0.5 h 2: 1.) O3, 2.) (CH3)2S / 1.) MeOH, -70 deg C, 15 min, 2.) MeOH, RT, overnight 3: 85percent H3PO4 / 100 °C 4: 87 percent / 35percent aq. KOH / methanol / 100 °C View Scheme

: 166599-86-6
methyl 2-hydroxy-2,3-dihydrobenzofuran-6-carboxylate

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 85percent H3PO4 / 100 °C 2: 87 percent / 35percent aq. KOH / methanol / 100 °C View Scheme

: 24589-98-8
methyl 4-formyl-3-hydroxybenzoate

: 77095-51-3
benzofuran-6-carboxylic acid

: 478169-68-5
methyl 3-hydroxy-4-[(trimethylsilyl)ethynyl]benzoate

A: 77095-51-3
benzofuran-6-carboxylic acid

B: 501892-53-1
N-[(1S,2R,4R)-7-Azabicyclo[2.2.1]hept-2-yl]-1-benzofuran-6-carboxamide hydrochloride

Conditions

Conditions	Yield
With sodium hydroxide; copper(I) iodide In methanol; ethanol; water; triethylamine	A n/a B 1.83 g (93%)

: 13196-11-7
6-hydroxybenzofuran

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: dichloromethane / 72 h / 20 °C 2: 1,3-bis-(diphenylphosphino)propane; palladium diacetate / N,N-dimethyl-formamide / 6 h / 70 °C / 6000.6 Torr 3: lithium hydroxide / methanol; water / 20 °C View Scheme
Multi-step reaction with 3 steps 1: dichloromethane / 72 h 2: 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine / N,N-dimethyl-formamide / 6 h / 70 °C / 6000.6 Torr / Autoclave 3: lithium hydroxide; water / methanol View Scheme

: 6272-26-0
6-hydroxybenzofuran-3-one

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: triethylamine / acetone / 20 °C 2.1: sodium tetrahydroborate / methanol / 20 °C 2.2: 2 h / 20 °C 2.3: 20 °C / Darkness; Inert atmosphere 3.1: dichloromethane / 72 h / 20 °C 4.1: 1,3-bis-(diphenylphosphino)propane; palladium diacetate / N,N-dimethyl-formamide / 6 h / 70 °C / 6000.6 Torr 5.1: lithium hydroxide / methanol; water / 20 °C View Scheme
Multi-step reaction with 6 steps 1: triethylamine / acetone 2: sodium tetrahydroborate / methanol / 20 °C 3: hydrogenchloride; water / tetrahydrofuran / 28 °C / Inert atmosphere; Darkness 4: dichloromethane / 72 h 5: 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine / N,N-dimethyl-formamide / 6 h / 70 °C / 6000.6 Torr / Autoclave 6: lithium hydroxide; water / methanol View Scheme

Yield

Multi-step reaction with 5 steps
1.1: triethylamine / acetone / 20 °C
2.1: sodium tetrahydroborate / methanol / 20 °C
2.2: 2 h / 20 °C
2.3: 20 °C / Darkness; Inert atmosphere
3.1: dichloromethane / 72 h / 20 °C
4.1: 1,3-bis-(diphenylphosphino)propane; palladium diacetate / N,N-dimethyl-formamide / 6 h / 70 °C / 6000.6 Torr
5.1: lithium hydroxide / methanol; water / 20 °C
View Scheme

Multi-step reaction with 6 steps
1: triethylamine / acetone
2: sodium tetrahydroborate / methanol / 20 °C
3: hydrogenchloride; water / tetrahydrofuran / 28 °C / Inert atmosphere; Darkness
4: dichloromethane / 72 h
5: 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine / N,N-dimethyl-formamide / 6 h / 70 °C / 6000.6 Torr / Autoclave
6: lithium hydroxide; water / methanol
View Scheme

: 227752-25-2
trifluoromethanesulfonic acid benzofuran-6-yl ester

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1,3-bis-(diphenylphosphino)propane; palladium diacetate / N,N-dimethyl-formamide / 6 h / 70 °C / 6000.6 Torr 2: lithium hydroxide / methanol; water / 20 °C View Scheme
Multi-step reaction with 2 steps 1: 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine / N,N-dimethyl-formamide / 6 h / 70 °C / 6000.6 Torr / Autoclave 2: lithium hydroxide; water / methanol View Scheme

: 299912-77-9
6-(tert-butyl-dimethylsilanyloxy)-[2H]-benzofuran-3-one

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sodium tetrahydroborate / methanol / 20 °C 1.2: 2 h / 20 °C 1.3: 20 °C / Darkness; Inert atmosphere 2.1: dichloromethane / 72 h / 20 °C 3.1: 1,3-bis-(diphenylphosphino)propane; palladium diacetate / N,N-dimethyl-formamide / 6 h / 70 °C / 6000.6 Torr 4.1: lithium hydroxide / methanol; water / 20 °C View Scheme
Multi-step reaction with 5 steps 1: sodium tetrahydroborate / methanol / 20 °C 2: hydrogenchloride; water / tetrahydrofuran / 28 °C / Inert atmosphere; Darkness 3: dichloromethane / 72 h 4: 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine / N,N-dimethyl-formamide / 6 h / 70 °C / 6000.6 Torr / Autoclave 5: lithium hydroxide; water / methanol View Scheme

: (1-benzofuran-6-yloxy)(tert-butyl)dimethylsilane

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: hydrogenchloride; water / tetrahydrofuran / 28 °C / Inert atmosphere; Darkness 2: dichloromethane / 72 h 3: 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine / N,N-dimethyl-formamide / 6 h / 70 °C / 6000.6 Torr / Autoclave 4: lithium hydroxide; water / methanol View Scheme

: 128851-73-0
6-bromo-benzofuran

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: isopropylmagnesium bromide / tetrahydrofuran / 0.5 h / -25 °C 1.2: -25 °C 2.1: sodium hydroxide; dihydrogen peroxide / water / 75 - 90 °C View Scheme
Multi-step reaction with 2 steps 1: tetrahydrofuran / Reflux 2: sodium hydroxide; water / 90 °C View Scheme

: 99-06-9
3-Carboxyphenol

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: methanesulfonic acid / 3 h / 80 °C / Large scale 2: thionyl chloride / 3 h / 60 °C / Large scale 3: potassium tert-butylate / tetrahydrofuran / 1 h / 0 - 5 °C / Inert atmosphere; Large scale 4: sodium hydroxide / methanol; water / 1 h / 20 - 35 °C / Large scale View Scheme
Multi-step reaction with 3 steps 1: sodium hydroxide; sodium hypochlorite / methanol / 72 h / 0 - 30 °C 2: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / tetrahydrofuran; chloroform / 4 h / 50 - 60 °C / Inert atmosphere 3: copper(l) iodide; triethylamine / ethanol / 3 h / 75 - 85 °C View Scheme

: 619-12-5
4-formyl-3-hydroxybenzoic acid

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride / 3 h / 60 °C / Large scale 2: potassium tert-butylate / tetrahydrofuran / 1 h / 0 - 5 °C / Inert atmosphere; Large scale 3: sodium hydroxide / methanol; water / 1 h / 20 - 35 °C / Large scale View Scheme

: 58123-77-6
3-hydroxy-4-iodobenzoic acid

: 77095-51-3
benzofuran-6-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / tetrahydrofuran; chloroform / 4 h / 50 - 60 °C / Inert atmosphere 2: copper(l) iodide; triethylamine / ethanol / 3 h / 75 - 85 °C View Scheme

: 77095-51-3
benzofuran-6-carboxylic acid

: benzofuran-6-carboxylic chloride

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide In toluene Inert atmosphere; Heating;	100%
With thionyl chloride In benzene for 3h; Heating;
With methanesulfonyl chloride; triethylamine

: 77095-51-3
benzofuran-6-carboxylic acid

: C10H9Cl2NO2*C2HF3O2

: 2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3 ,4-tetrahydroisoquinoline-6-carboxylic acid

Conditions

Conditions	Yield
Stage #1: benzofuran-6-carboxylic acid With N-ethyl-N,N-diisopropylamine; HATU In tetrahydrofuran at 20 - 30℃; for 2h; Inert atmosphere; Stage #2: C10H9Cl2NO2*C2HF3O2 In tetrahydrofuran at 20 - 30℃;	98%

: 67-56-1
methanol

: 77095-51-3
benzofuran-6-carboxylic acid

: 588703-29-1
methyl benzofuran-6-carboxylate

Conditions

Conditions	Yield
With sulfuric acid at 20℃;	96%

: 77095-51-3
benzofuran-6-carboxylic acid

: (S)-2-(8-chloro-2,3-dihydro-1H-pyrrole[3,2,1-ij]isoquinazolin-7-carbonylamino)-3-(3-(methanesulfonyl)phenyl)propanoic acid benzyl ester trifluoroacetate salt

: (S)-2-(8-chloro-2-(benzofuran-6-carbonyl)-2,3-dihydro-1H-pyrrole[3,2,1-ij]quinazolin-7-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid benzyl ester

Conditions

Conditions	Yield
Stage #1: benzofuran-6-carboxylic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: (S)-2-(8-chloro-2,3-dihydro-1H-pyrrole[3,2,1-ij]isoquinazolin-7-carbonylamino)-3-(3-(methanesulfonyl)phenyl)propanoic acid benzyl ester trifluoroacetate salt In N,N-dimethyl-formamide at 20℃; for 12h;	95%

Yield

Stage #1: benzofuran-6-carboxylic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 1h;
Stage #2: (S)-2-(8-chloro-2,3-dihydro-1H-pyrrole[3,2,1-ij]isoquinazolin-7-carbonylamino)-3-(3-(methanesulfonyl)phenyl)propanoic acid benzyl ester trifluoroacetate salt In N,N-dimethyl-formamide at 20℃; for 12h;

95%

: 77095-51-3
benzofuran-6-carboxylic acid

: 851784-90-2
dichloro quinoline ester

: 851784-92-4
C20H15Cl2NO4

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; dmap In DMF (N,N-dimethyl-formamide) at 20℃; for 15h;	92%
Stage #1: benzofuran-6-carboxylic acid With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In tetrahydrofuran at 25 - 35℃; for 0.5h; Stage #2: dichloro quinoline ester In tetrahydrofuran at 25 - 35℃; for 3h;

: 77095-51-3
benzofuran-6-carboxylic acid

: 198554-72-2
4-(4-methoxybenzyl)-6-piperidin-4-ylpyrimidin-2-amine

: 198554-13-1
4-[1-(1-benzofuran-6-ylcarbonyl)piperidin-4-yl]-6-(4-methoxybenzyl)pyrimidin-2-amine

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In chloroform at 20℃;	88%

: 77095-51-3
benzofuran-6-carboxylic acid

: 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

: 2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3 ,4-tetrahydroisoquinoline-6-carboxylic acid

Conditions

Conditions	Yield
Stage #1: benzofuran-6-carboxylic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 0℃; for 3h; Inert atmosphere; Stage #2: 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid In dichloromethane at 30℃; for 8h; Reagent/catalyst; Temperature; Solvent;	87.01%

: 77095-51-3
benzofuran-6-carboxylic acid

: 851785-70-1
(S)-2-(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid

: 1025967-78-5
(S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at -10 - 20℃; Reagent/catalyst; Solvent; Temperature;	83.8%
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 10 - 20℃; for 1.5h;

: 77095-51-3
benzofuran-6-carboxylic acid

: (S)-2-(5-(7-dichloro-1,2,3,4-tetrahydroisoquinolin-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid) hydrochloride

: 101-83-7
N-cyclohexyl-cyclohexanamine

: lifitegrast dicyclohexylamine salt

Conditions

Conditions	Yield
Stage #1: benzofuran-6-carboxylic acid; (S)-2-(5-(7-dichloro-1,2,3,4-tetrahydroisoquinolin-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid) hydrochloride In dichloromethane; dimethyl sulfoxide at 0 - 5℃; for 2h; Stage #2: N-cyclohexyl-cyclohexanamine In water at 0 - 25℃; for 41h; pH=8.3; Temperature;	65%

...Expand

: 77095-51-3
benzofuran-6-carboxylic acid

: 67025-97-2, 84774-95-8
6a-naltrexamine hydrochloride

: 17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6α-(benzofuran-6-carboxamido)morphinan

Conditions

Conditions	Yield
Stage #1: benzofuran-6-carboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide for 1h; Molecular sieve; Cooling with ice; Inert atmosphere; Stage #2: 6a-naltrexamine hydrochloride In N,N-dimethyl-formamide at 20℃; Inert atmosphere; Stage #3: With potassium carbonate In methanol at 20℃; Inert atmosphere;	62%

: 77095-51-3
benzofuran-6-carboxylic acid

: 20'-aminovinblastine

: C55H63N5O10

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 23℃; for 12h; Inert atmosphere;	54%

: 77095-51-3
benzofuran-6-carboxylic acid

: 851784-86-6
C19H19Cl2N3O4S

: C28H23Cl2N3O6S

Conditions

Conditions	Yield
Stage #1: benzofuran-6-carboxylic acid With N-ethyl-N,N-diisopropylamine; HATU In DMF (N,N-dimethyl-formamide) at 20℃; for 0.5h; Stage #2: C19H19Cl2N3O4S In DMF (N,N-dimethyl-formamide) at 45℃; for 12h;	50%
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 45℃;

: 77095-51-3
benzofuran-6-carboxylic acid

: 67025-97-2
6β-naltrexamine

: 17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6β-(benzofuran-6-carboxamido)morphinan

Conditions

Conditions	Yield
Stage #1: benzofuran-6-carboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide for 1h; Molecular sieve; Cooling with ice; Inert atmosphere; Stage #2: 6β-naltrexamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere; Stage #3: With potassium carbonate In methanol at 20℃; Inert atmosphere;	44%

: 77095-51-3
benzofuran-6-carboxylic acid

: 6530-09-2, 119904-90-4, 120538-52-5, 123536-14-1, 124577-62-4, 126358-22-3, 137661-30-4, 137661-31-5
(3R)-quinuclidin-3-amine dihydrochloride

: N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-1-benzofuran-6-carboxamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; for 18h;
With N-ethyl-N,N-diisopropylamine; HATU In DMF (N,N-dimethyl-formamide) at 0℃; for 18h;

: 77095-51-3
benzofuran-6-carboxylic acid

: 6-(4,4-dimethyl-2-oxazolin-2-yl)benzofuran

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride / benzene / 3 h / Heating 2: CH2Cl2 / 3 h / Ambient temperature 3: thionyl chloride / 12 h / Ambient temperature View Scheme

: 77095-51-3
benzofuran-6-carboxylic acid

: benzofuran-6-carboxylic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: thionyl chloride / benzene / 3 h / Heating 2: CH2Cl2 / 3 h / Ambient temperature View Scheme

6-Benzofurancarboxylicacid 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

Product Name

benzofuran-6-carboxylic acid

Synthetic route

6-Benzofurancarboxylicacid Specification

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