Product Name

  • Name

    benzofuran-4-carboxylic acid

  • EINECS
  • CAS No. 166599-84-4
  • Article Data4
  • CAS DataBase
  • 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 Molecular Structure of 166599-84-4 (benzofuran-4-carboxylic acid)
  • Hazard Symbols
  • Synonyms 1-Benzofuran-4-carboxylicacid;
  • PSA 50.44000
  • LogP 2.13100

Synthetic route

methyl benzofuran-4-carboxylate
41019-56-1

methyl benzofuran-4-carboxylate

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

Conditions
ConditionsYield
With water; lithium hydroxide In tetrahydrofuran; methanol at 20℃; for 16h;99%
Stage #1: methyl benzofuran-4-carboxylate With lithium hydroxide In tetrahydrofuran; methanol; water at 20℃; for 16h;
Stage #2: With hydrogenchloride In water		99%
With potassium hydroxide In methanol for 1h; Heating;97%
methyl 2-hydroxy-2,3-dihydrobenzofuran-4-carboxylate
166599-85-5

methyl 2-hydroxy-2,3-dihydrobenzofuran-4-carboxylate

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

Conditions
ConditionsYield
Stage #1: methyl 2-hydroxy-2,3-dihydrobenzofuran-4-carboxylate; toluene-4-sulfonic acid In toluene for 5.46667h; Heating / reflux;
Stage #2: With sodium hydroxide; water In toluene at 60℃; for 9h;
Stage #3: With hydrogenchloride In water at 2 - 14℃; for 14.5h; Heating / reflux;		62%
Multi-step reaction with 2 steps
1: 67 percent / 85percent H3PO4 / a) RT, 10 min, b) 100 deg C, 15 min
2: 97 percent / 35percent KOH / methanol / 1 h / Heating
View Scheme
methyl 3-(prop-2-enyloxy)benzoate
79250-46-7

methyl 3-(prop-2-enyloxy)benzoate

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 41 percent / 1 h / 230 °C
2: 1.) O3, 2.) (CH3)2S / 1.) MeOH, -70 deg C, 30 min, 2.) MeOH, RT, overnight
3: 67 percent / 85percent H3PO4 / a) RT, 10 min, b) 100 deg C, 15 min
4: 97 percent / 35percent KOH / methanol / 1 h / Heating
View Scheme
2-allyl-3-hydroxy-benzoic acid methyl ester
79950-39-3

2-allyl-3-hydroxy-benzoic acid methyl ester

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 1.) O3, 2.) (CH3)2S / 1.) MeOH, -70 deg C, 30 min, 2.) MeOH, RT, overnight
2: 67 percent / 85percent H3PO4 / a) RT, 10 min, b) 100 deg C, 15 min
3: 97 percent / 35percent KOH / methanol / 1 h / Heating
View Scheme
benzofuran-4-yl trifluoromethanesulfonate
177734-79-1

benzofuran-4-yl trifluoromethanesulfonate

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine; palladium diacetate; 1,3-bis-(diphenylphosphino)propane / dimethyl sulfoxide / 18 h / 80 °C / 3102.97 Torr
2: lithium hydroxide; water / tetrahydrofuran; methanol / 16 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine / dimethyl sulfoxide / 18 h / 80 °C / 3102.97 Torr
2: lithium hydroxide / tetrahydrofuran; water; methanol / 16 h / 20 °C
View Scheme
4-hydroxybenzofuran
480-97-7

4-hydroxybenzofuran

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: pyridine; dmap / dichloromethane / 2 h / 0 °C
2: 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine / dimethyl sulfoxide / 18 h / 80 °C / 3102.97 Torr
3: lithium hydroxide / tetrahydrofuran; water; methanol / 16 h / 20 °C
View Scheme
N,O-dimethylhydroxylamine*hydrochloride
6638-79-5

N,O-dimethylhydroxylamine*hydrochloride

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

N-methoxy-N-methylbenzofuran-4-carboxamide
209256-39-3

N-methoxy-N-methylbenzofuran-4-carboxamide

Conditions
ConditionsYield
Stage #1: benzofuran-4-carboxylic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 1h;
Stage #2: N,O-dimethylhydroxylamine*hydrochloride With pyridine In dichloromethane at 0 - 20℃; for 18h;		93%
Stage #1: benzofuran-4-carboxylic acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 1h;
Stage #2: N,O-dimethylhydroxylamine*hydrochloride With pyridine In dichloromethane; N,N-dimethyl-formamide at 20℃; for 18h;		93%
benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

2,3-dihydrobenzofuran-4-carboxylic acid
209256-40-6

2,3-dihydrobenzofuran-4-carboxylic acid

Conditions
ConditionsYield
With hydrogen; palladium 10% on activated carbon In acetic acid under 3102.97 Torr; for 12h;83%
With hydrogen; palladium 10% on activated carbon In ethanol at 20℃; under 3000.3 Torr; for 16h;
With hydrogen; palladium 10% on activated carbon In ethanol at 20℃; under 3000.3 Torr; for 16h;
tert-butyl (3R)3-aminopiperidine-1-carboxylate
188111-79-7

tert-butyl (3R)3-aminopiperidine-1-carboxylate

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

(R)-3-[(benzofuran-4-carbonyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
1030389-11-7

(R)-3-[(benzofuran-4-carbonyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 20h;82%
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 20h;82%
(2RS)-(2-aminomethyl-azetidin-1-yl)-[5-(4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanone
1007873-82-6

(2RS)-(2-aminomethyl-azetidin-1-yl)-[5-(4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanone

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

(2S)-Benzofuran-4-carboxylic acid{1-[5-(4-fluoro-phenyl)-2-methyl-thiazole-4-carbonyl]-azetidin-2-ylmethyl}-amide
1007873-83-7

(2S)-Benzofuran-4-carboxylic acid{1-[5-(4-fluoro-phenyl)-2-methyl-thiazole-4-carbonyl]-azetidin-2-ylmethyl}-amide

Conditions
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 20h;78%
(S)-3-methylamino-4-phenyl-butyronitrile hydrochloride
1238071-95-8

(S)-3-methylamino-4-phenyl-butyronitrile hydrochloride

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

benzofuran-4-carboxylic acid ((S)-1-benzyl-2-cyanoethyl)(methyl)amide
1312557-94-0

benzofuran-4-carboxylic acid ((S)-1-benzyl-2-cyanoethyl)(methyl)amide

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 20h;78%
bis(2-fluorophenyl)iodonium trifluoromethanesulfonate
1034369-95-3

bis(2-fluorophenyl)iodonium trifluoromethanesulfonate

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

C15H8O3

C15H8O3

Conditions
ConditionsYield
With palladium diacetate; potassium carbonate In N,N-dimethyl-formamide at 110℃; for 24h;50%
6a-naltrexamine hydrochloride
67025-97-2, 84774-95-8

6a-naltrexamine hydrochloride

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

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

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

Conditions
ConditionsYield
Stage #1: benzofuran-4-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;		45%
6β-naltrexamine
67025-97-2

6β-naltrexamine

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

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

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

Conditions
ConditionsYield
Stage #1: benzofuran-4-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;		42%
tert-butyl (2S)-2-(aminomethyl)azetidine-1-carboxylate
1007873-90-6

tert-butyl (2S)-2-(aminomethyl)azetidine-1-carboxylate

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

(2S)-{[(benzofuran-4-carbonyl)-amino]-methyl}-azetidine-1-carboxylic acid tert-butyl ester
1007873-91-7

(2S)-{[(benzofuran-4-carbonyl)-amino]-methyl}-azetidine-1-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide Inert atmosphere;30%
benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

2-iodo-benzofuran-4-carboxylic acid
1061591-03-4

2-iodo-benzofuran-4-carboxylic acid

Conditions
ConditionsYield
Stage #1: benzofuran-4-carboxylic acid With tert.-butyl lithium In diethyl ether; pentane at -78℃; for 0.5h; Inert atmosphere;
Stage #2: With iodine In diethyl ether; pentane at -78 - 20℃;		23%
(RS)-2-Cyclopropyl-2-[methyl-(2-methyl-5-phenyl-thiazole-4-carbonyl)-amino]-ethyl-ammonium chloride
1117693-67-0

(RS)-2-Cyclopropyl-2-[methyl-(2-methyl-5-phenyl-thiazole-4-carbonyl)-amino]-ethyl-ammonium chloride

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

2-methyl-5-phenyl-thiazole-4-carboxylic acid {(RS)-2-[(benzofuran-4-carbonyl)-amino]-1-cyclopropyl-ethyl}-methyl-amide
1117693-63-6

2-methyl-5-phenyl-thiazole-4-carboxylic acid {(RS)-2-[(benzofuran-4-carbonyl)-amino]-1-cyclopropyl-ethyl}-methyl-amide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide22%
(RS)-2-cyclopropyl-2-[methyl-(2-methyl-5-phenyl-thiazole-4-carbonyl)amino]ethyl-ammonium chloride

(RS)-2-cyclopropyl-2-[methyl-(2-methyl-5-phenyl-thiazole-4-carbonyl)amino]ethyl-ammonium chloride

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

2-methyl-5-phenyl-thiazole-4-carboxylic acid {(RS)-2-[(benzofuran-4-carbonyl)-amino]-1-cyclopropyl-ethyl}-methyl-amide
1117693-63-6

2-methyl-5-phenyl-thiazole-4-carboxylic acid {(RS)-2-[(benzofuran-4-carbonyl)-amino]-1-cyclopropyl-ethyl}-methyl-amide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide22%
benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

benzofuran-4-carbonyl chloride
380899-56-9

benzofuran-4-carbonyl chloride

Conditions
ConditionsYield
With thionyl chloride; N,N-dimethyl-formamide Ambient temperature;
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 19 - 20℃; for 2.5h;
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 5h;
With thionyl chloride for 2h; Heating / reflux;
benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

tert-butyl alcohol
75-65-0

tert-butyl alcohol

tert-butyl (1-benzofuran-4-yl)carbamate
412336-05-1

tert-butyl (1-benzofuran-4-yl)carbamate

Conditions
ConditionsYield
With diphenyl phosphoryl azide; triethylamine for 18h; Heating;
(1R*,2S*,5S*)-2-aminomethyl-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester

(1R*,2S*,5S*)-2-aminomethyl-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

(1R*,2S*,5S*)-2-{[(benzofuran-4-carbonyl)-amino]-methyl}-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester

(1R*,2S*,5S*)-2-{[(benzofuran-4-carbonyl)-amino]-methyl}-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 0.166667h;
benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

4-aminobenzofuran
412336-07-3

4-aminobenzofuran

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: diphenoxyphosphoryl azide; Et3N / 18 h / Heating
2: 0.35 g / TFA / CH2Cl2 / 2.5 h / 0 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1: diphenylphosphoranyl azide; triethylamine / tert-butyl alcohol
2: trifluoroacetic acid / dichloromethane
View Scheme
benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

4-(4-benzofuranylamino)-6-methoxy-7-(3-morpholinopropoxy)quinazoline

4-(4-benzofuranylamino)-6-methoxy-7-(3-morpholinopropoxy)quinazoline

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: diphenoxyphosphoryl azide; Et3N / 18 h / Heating
2: 0.35 g / TFA / CH2Cl2 / 2.5 h / 0 - 20 °C
3: 76 percent / HCl(g) / propan-2-ol / 90 °C
View Scheme
benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

Benzofuran-4-yl-[1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone

Benzofuran-4-yl-[1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: SOCl2, DMF / Ambient temperature
2: EtAlCl2 / CH2Cl2; toluene / -78 - 20 °C
View Scheme
2-allyl-3-hydroxy-benzoic acid methyl ester
79950-39-3

2-allyl-3-hydroxy-benzoic acid methyl ester

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

tert-butyl (1-benzofuran-4-yl)carbamate
412336-05-1

tert-butyl (1-benzofuran-4-yl)carbamate

Conditions
ConditionsYield
With diphenylphosphoranyl azide; triethylamine In tert-butyl alcohol
(1S,3S,5S)-3-aminomethyl-2-aza-bicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester
1038509-56-6

(1S,3S,5S)-3-aminomethyl-2-aza-bicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

(1S,3S,5S)-3-{[(benzofuran-4-carbonyl)-amino]-methyl}-2-aza-bicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester
1038509-59-9

(1S,3S,5S)-3-{[(benzofuran-4-carbonyl)-amino]-methyl}-2-aza-bicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine for 2h;
tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
1108172-95-7

tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

(1S,2S,5R)-2-{[(benzofuran-4-carbonyl)-amino]-methyl}-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester
1108172-98-0

(1S,2S,5R)-2-{[(benzofuran-4-carbonyl)-amino]-methyl}-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
Stage #1: benzofuran-4-carboxylic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 0.166667h;
Stage #2: tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate In N,N-dimethyl-formamide
(1R,3S,4S)-3-aminomethyl-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
1181573-42-1

(1R,3S,4S)-3-aminomethyl-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

(1R,3S,4S)-3-{[(benzofuran-4-carbonyl)-amino]-methyl}-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
1181573-44-3

(1R,3S,4S)-3-{[(benzofuran-4-carbonyl)-amino]-methyl}-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
Stage #1: benzofuran-4-carboxylic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In dichloromethane; N,N-dimethyl-formamide
Stage #2: (1R,3S,4S)-3-aminomethyl-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester In dichloromethane; N,N-dimethyl-formamide
(R)-tert-butyl 4-(aminomethyl)thiazolidine-3-carboxylate
391248-13-8

(R)-tert-butyl 4-(aminomethyl)thiazolidine-3-carboxylate

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

(R)-4-{[(benzofuran-4-carbonyl)-amino]-methyl}-thiazolidine-3-carboxylic acid tert-butyl ester
1061591-40-9

(R)-4-{[(benzofuran-4-carbonyl)-amino]-methyl}-thiazolidine-3-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane
(2RS)-(2-aminomethyl-azetidin-1-yl)-biphenyl-2-yl-methanone
1007873-74-6

(2RS)-(2-aminomethyl-azetidin-1-yl)-biphenyl-2-yl-methanone

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

(2S)-Benzofuran-4-carboxylic acid [1-(biphenyl-2-carbonyl)-azetidin-2-ylmethyl]-amide
1007873-72-4

(2S)-Benzofuran-4-carboxylic acid [1-(biphenyl-2-carbonyl)-azetidin-2-ylmethyl]-amide

Conditions
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 20h;
(2RS)-[1-(biphenyl-2-sulfonyl)azetidin-2-yl]methylamine
1007873-77-9

(2RS)-[1-(biphenyl-2-sulfonyl)azetidin-2-yl]methylamine

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

(2S)-Benzofuran-4-carboxylic acid [1-(biphenyl-2-sulfonyl)-azetidin-2-ylmethyl]-amide
1007873-75-7

(2S)-Benzofuran-4-carboxylic acid [1-(biphenyl-2-sulfonyl)-azetidin-2-ylmethyl]-amide

Conditions
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 20h;
C19H25N3O2S
1396788-43-4

C19H25N3O2S

benzofuran-4-carboxylic acid
166599-84-4

benzofuran-4-carboxylic acid

C28H29N3O4S

C28H29N3O4S

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl acetamide

4-Benzofurancarboxylic acid Specification

This chemical is called 4-Benzofurancarboxylic acid, and its systematic name is 1-benzofuran-4-carboxylic acid. With the molecular formula of C9H6O3, its molecular weight is 162.14. The CAS registry number of this chemical is 166599-84-4.

Other characteristics of the 4-Benzofurancarboxylic acid can be summarised as followings: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 50.44 Å2; (12)Index of Refraction: 1.649; (13)Molar Refractivity: 43.325 cm3; (14)Molar Volume: 118.873 cm3; (15)Polarizability: 17.175×10-24cm3; (16)Surface Tension: 57.41 dyne/cm; (17)Density: 1.364 g/cm3; (18)Flash Point: 150.693 °C; (19)Enthalpy of Vaporization: 59.927 kJ/mol; (20)Boiling Point: 325.559 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OC(=O)c1cccc2occc12
2.InChI: InChI=1/C9H6O3/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-5H,(H,10,11)
3.InChIKey: WFAPIZKLEVLUMX-UHFFFAOYAI

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