Product Name

  • Name

    2-Butyl-3-(3,5-Diiodo-4-hydroxy benzoyl) benzofuran

  • EINECS 217-773-7
  • CAS No. 1951-26-4
  • Article Data8
  • CAS DataBase
  • Density 1.864 g/cm3
  • Solubility
  • Melting Point 142-144 °C
  • Formula C19H16I2O3
  • Boiling Point 536.773 °C at 760 mmHg
  • Molecular Weight 546.143
  • Flash Point 278.43 °C
  • Transport Information
  • Appearance Off-White Solid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 1951-26-4 (2-Butyl-3-(3,5-Diiodo-4-hydroxy benzoyl) benzofuran)
  • Hazard Symbols
  • Synonyms Ketone,2-butyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl (7CI,8CI);L 3373;NSC 85437;S 1086;(2-Butyl-1-benzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone;2-Butyl-3-(4-hydroxy3,5-diiodobenyl)-benzofuran;Methanone, (2-butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)-;(2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone;
  • PSA 50.44000
  • LogP 5.92120

Synthetic route

2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran
52490-15-0

2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Stage #1: 2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran With iodine; potassium carbonate In methanol; water at 40 - 65℃;
Stage #2: With hydrogenchloride; sodium sulfite In methanol; water at 20 - 30℃; for 2h; pH=1 - 2; pH-value;		98.8%
With iodine; sodium hydroxide In methanol at 0 - 20℃; for 3h;72%
With iodine; iodic acid In acetic acid
With hydrogenchloride; sodium hydroxide; iodine In methanol0.914 g (47%)
With iodine; potassium carbonate In ethanol for 2h; Reflux;14.61 g
2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran
52490-15-0

2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran

A

2-n-butyl-3-(3-iodo-4-hydroxybenzoyl)-benzofuran

2-n-butyl-3-(3-iodo-4-hydroxybenzoyl)-benzofuran

B

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
With potassium hydroxide; sodium hypochlorite; sodium iodide In methanol at -5℃; for 4h;A 25%
B 11%
2-n-butylbenzo[b]furan
4265-27-4

2-n-butylbenzo[b]furan

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: aluminum (III) chloride / dichloromethane / 10 h / -20 - -15 °C / Reflux
2.1: potassium carbonate; iodine / methanol; water / 40 - 65 °C
2.2: 2 h / 20 - 30 °C / pH 1 - 2
View Scheme
Multi-step reaction with 3 steps
1.1: aluminum (III) chloride / dichloromethane / 1 h / 0 - 5 °C
1.2: 2 h / 5 - 25 °C
2.1: aluminum (III) chloride / toluene / 6 h / Reflux
3.1: iodine; potassium carbonate / ethanol / 2 h / Reflux
View Scheme
methyl 2-(2-formylphenoxy)hexanoate
138320-26-0

methyl 2-(2-formylphenoxy)hexanoate

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: toluene-4-sulfonic acid / methanol / 3 h / 20 - 30 °C
1.2: 1 h
2.1: sodium hydroxide / toluene; water / 4 h / 35 - 40 °C
3.1: triethylamine; p-toluenesulfonyl chloride / toluene / 2 h / 70 - 80 °C
3.2: 2 h / 70 - 75 °C
4.1: aluminum (III) chloride / dichloromethane / 10 h / -20 - -15 °C / Reflux
5.1: potassium carbonate; iodine / methanol; water / 40 - 65 °C
5.2: 2 h / 20 - 30 °C / pH 1 - 2
View Scheme
C16H24O5

C16H24O5

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: sodium hydroxide / toluene; water / 4 h / 35 - 40 °C
2.1: triethylamine; p-toluenesulfonyl chloride / toluene / 2 h / 70 - 80 °C
2.2: 2 h / 70 - 75 °C
3.1: aluminum (III) chloride / dichloromethane / 10 h / -20 - -15 °C / Reflux
4.1: potassium carbonate; iodine / methanol; water / 40 - 65 °C
4.2: 2 h / 20 - 30 °C / pH 1 - 2
View Scheme
2-(2-formyl-phenoxy)-hexanoic acid
138320-27-1

2-(2-formyl-phenoxy)-hexanoic acid

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: triethylamine; p-toluenesulfonyl chloride / toluene / 2 h / 70 - 80 °C
1.2: 2 h / 70 - 75 °C
2.1: aluminum (III) chloride / dichloromethane / 10 h / -20 - -15 °C / Reflux
3.1: potassium carbonate; iodine / methanol; water / 40 - 65 °C
3.2: 2 h / 20 - 30 °C / pH 1 - 2
View Scheme
methyl 2-bromohexanoate
5445-19-2

methyl 2-bromohexanoate

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: potassium carbonate / N,N-dimethyl-formamide; toluene / 0.5 h / 60 - 70 °C
1.2: 2 h / 80 - 100 °C
2.1: toluene-4-sulfonic acid / methanol / 3 h / 20 - 30 °C
2.2: 1 h
3.1: sodium hydroxide / toluene; water / 4 h / 35 - 40 °C
4.1: triethylamine; p-toluenesulfonyl chloride / toluene / 2 h / 70 - 80 °C
4.2: 2 h / 70 - 75 °C
5.1: aluminum (III) chloride / dichloromethane / 10 h / -20 - -15 °C / Reflux
6.1: potassium carbonate; iodine / methanol; water / 40 - 65 °C
6.2: 2 h / 20 - 30 °C / pH 1 - 2
View Scheme
salicylaldehyde
90-02-8

salicylaldehyde

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: potassium carbonate / N,N-dimethyl-formamide; toluene / 0.5 h / 60 - 70 °C
1.2: 2 h / 80 - 100 °C
2.1: toluene-4-sulfonic acid / methanol / 3 h / 20 - 30 °C
2.2: 1 h
3.1: sodium hydroxide / toluene; water / 4 h / 35 - 40 °C
4.1: triethylamine; p-toluenesulfonyl chloride / toluene / 2 h / 70 - 80 °C
4.2: 2 h / 70 - 75 °C
5.1: aluminum (III) chloride / dichloromethane / 10 h / -20 - -15 °C / Reflux
6.1: potassium carbonate; iodine / methanol; water / 40 - 65 °C
6.2: 2 h / 20 - 30 °C / pH 1 - 2
View Scheme
2-n-butyl 3-(4-methoxy benzoyl)-benzofuran
83790-87-8

2-n-butyl 3-(4-methoxy benzoyl)-benzofuran

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: boron tribromide / dichloromethane
2: sodium hydroxide; iodine / methanol / 3 h / 0 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1: aluminum (III) chloride / toluene / 6 h / Reflux
2: iodine; potassium carbonate / ethanol / 2 h / Reflux
View Scheme
1-(4-methoxyphenyl)-1,3-heptanedione
1137261-90-5

1-(4-methoxyphenyl)-1,3-heptanedione

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: N-Bromosuccinimide; aluminum (III) chloride / nitromethane / 6 h / 80 °C
2: boron tribromide / dichloromethane
3: sodium hydroxide; iodine / methanol / 3 h / 0 - 20 °C
View Scheme
1-(4-methoxyphenyl)ethanone
100-06-1

1-(4-methoxyphenyl)ethanone

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium hydride / mineral oil; tetrahydrofuran / Reflux
2: N-Bromosuccinimide; aluminum (III) chloride / nitromethane / 6 h / 80 °C
3: boron tribromide / dichloromethane
4: sodium hydroxide; iodine / methanol / 3 h / 0 - 20 °C
View Scheme
methyl valerate
624-24-8

methyl valerate

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium hydride / mineral oil; tetrahydrofuran / Reflux
2: N-Bromosuccinimide; aluminum (III) chloride / nitromethane / 6 h / 80 °C
3: boron tribromide / dichloromethane
4: sodium hydroxide; iodine / methanol / 3 h / 0 - 20 °C
View Scheme
2-Iodophenol
533-58-4

2-Iodophenol

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: potassium carbonate; copper(l) iodide; tetra-(n-butyl)ammonium iodide; palladium / toluene / 40 °C / Inert atmosphere
2.1: aluminum (III) chloride / dichloromethane / 1 h / 0 - 5 °C
2.2: 2 h / 5 - 25 °C
3.1: aluminum (III) chloride / toluene / 6 h / Reflux
4.1: iodine; potassium carbonate / ethanol / 2 h / Reflux
View Scheme
hex-1-yne
693-02-7

hex-1-yne

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: potassium carbonate; copper(l) iodide; tetra-(n-butyl)ammonium iodide; palladium / toluene / 40 °C / Inert atmosphere
2.1: aluminum (III) chloride / dichloromethane / 1 h / 0 - 5 °C
2.2: 2 h / 5 - 25 °C
3.1: aluminum (III) chloride / toluene / 6 h / Reflux
4.1: iodine; potassium carbonate / ethanol / 2 h / Reflux
View Scheme
2-chloro-N,N-diethylethylamine hydrochloride
869-24-9

2-chloro-N,N-diethylethylamine hydrochloride

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Amiodarone
1951-25-3

Amiodarone

Conditions
ConditionsYield
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 20℃; for 12h;91%
2-chloro-N,N-diethylethylamine hydrochloride
869-24-9

2-chloro-N,N-diethylethylamine hydrochloride

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

amiodarone hydrochloride
19774-82-4

amiodarone hydrochloride

Conditions
ConditionsYield
With potassium carbonate In water; toluene for 4h;87.6%
With potassium carbonate In water; toluene at 60℃; for 8h;13.97 g
Iodoethanol
624-76-0

Iodoethanol

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

(2-butylbenzofuran-3-yl)-[4-(2-hydroxyethoxy)-3,5-diiodophenyl]-methanone

(2-butylbenzofuran-3-yl)-[4-(2-hydroxyethoxy)-3,5-diiodophenyl]-methanone

Conditions
ConditionsYield
With potassium carbonate In acetone78%
ethyl iodide
75-03-6

ethyl iodide

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

(2-butylbenzofuran-3-yl)-[4-ethoxy-3,5-diiodophenyl]-methanone

(2-butylbenzofuran-3-yl)-[4-ethoxy-3,5-diiodophenyl]-methanone

Conditions
ConditionsYield
In acetone at 50℃; for 16h;75%
72%
N-(2-chloroethyl)-pyrrolidine
5050-41-9

N-(2-chloroethyl)-pyrrolidine

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

(2-butylbenzofuran-3-yl)-[3,5-diiodo-4-(2-pyrrolidine-1-yl-ethoxy)phenyl]-methanone hydrochloride

(2-butylbenzofuran-3-yl)-[3,5-diiodo-4-(2-pyrrolidine-1-yl-ethoxy)phenyl]-methanone hydrochloride

Conditions
ConditionsYield
With potassium carbonate In water; toluene for 1h; Heating;70%
2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

2-chloro-ethanol
107-07-3

2-chloro-ethanol

(2-butylbenzofuran-3-yl)-[4-(2-hydroxyethoxy)-3,5-diiodophenyl]-methanone

(2-butylbenzofuran-3-yl)-[4-(2-hydroxyethoxy)-3,5-diiodophenyl]-methanone

Conditions
ConditionsYield
65%
In acetone at 50℃;
4-(2-chloroethyl)morpholine hydrochride
3647-69-6

4-(2-chloroethyl)morpholine hydrochride

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

2-n-butyl-3-(3,5-diiodo-4-β-N-morpholinoethoxybenzoyl)benzofuran hydrochloride

2-n-butyl-3-(3,5-diiodo-4-β-N-morpholinoethoxybenzoyl)benzofuran hydrochloride

Conditions
ConditionsYield
With potassium carbonate In water; toluene65%
N-(2-chloroethyl)ethylamine hydrochloride
4535-87-9

N-(2-chloroethyl)ethylamine hydrochloride

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

Desethylamiodarone hydrochloride
96027-74-6

Desethylamiodarone hydrochloride

Conditions
ConditionsYield
With potassium carbonate In water; toluene for 1h; Heating;65%
N-chloroethylpiperidine hydrochloride
2008-75-5

N-chloroethylpiperidine hydrochloride

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

(2-butylbenzofuran-3-yl)-[3,5-diiodo-4-(2-piperidin-1-yl-ethoxy)phenyl]-methanone hydrochloride

(2-butylbenzofuran-3-yl)-[3,5-diiodo-4-(2-piperidin-1-yl-ethoxy)phenyl]-methanone hydrochloride

Conditions
ConditionsYield
With potassium carbonate In water; toluene for 1h; Heating;64%
ethylene dibromide
106-93-4

ethylene dibromide

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

[4-(2-bromo-ethoxy)-3,5-diiodo-phenyl]-(2-butyl-benzofuran-3-yl)-methanone
96027-84-8

[4-(2-bromo-ethoxy)-3,5-diiodo-phenyl]-(2-butyl-benzofuran-3-yl)-methanone

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 2h;61%
Stage #1: 2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran With potassium carbonate In butanone for 0.5h; Reflux;
Stage #2: ethylene dibromide In butanone for 8h; Reflux;
benzyl-(2-chloro-ethyl)-ethyl-amine
60154-59-8

benzyl-(2-chloro-ethyl)-ethyl-amine

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

{4-[2-(benzyl-ethyl-amino)-ethoxy]-3,5-diiodo-phenyl}-(2-butyl-benzofuran-3-yl)-methanone
1096359-59-9

{4-[2-(benzyl-ethyl-amino)-ethoxy]-3,5-diiodo-phenyl}-(2-butyl-benzofuran-3-yl)-methanone

Conditions
ConditionsYield
With sodium iodide In N,N-dimethyl-formamide at 20℃; for 24h;40%
C14H27N2O4S
851025-42-8

C14H27N2O4S

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

2-butyl-3-(3,5-diiodo-4-{2-[N-ethyl,N-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-ylmethyl)amino]ethyl}oxybenzoyl)benzofuran
851025-45-1

2-butyl-3-(3,5-diiodo-4-{2-[N-ethyl,N-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-ylmethyl)amino]ethyl}oxybenzoyl)benzofuran

Conditions
ConditionsYield
With 18-crown-6 ether; potassium carbonate In acetone for 24h; Heating;39%
2-chloroethanamine hydrochloride
870-24-6

2-chloroethanamine hydrochloride

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

[4-(2-aminoethoxy)-3,5-diiodophenyl]-(2-butylbenzofuran-3-yl)methanone hydrochloride

[4-(2-aminoethoxy)-3,5-diiodophenyl]-(2-butylbenzofuran-3-yl)methanone hydrochloride

Conditions
ConditionsYield
With potassium carbonate In water; toluene24%
ethyl bromoacetate
105-36-2

ethyl bromoacetate

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodophenoxy]acetic acid ethyl ester

[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodophenoxy]acetic acid ethyl ester

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

chloroethylamine
689-98-5

chloroethylamine

Didesethylamiodarone

Didesethylamiodarone

Conditions
ConditionsYield
With sodium ethanolate
2-ethyl-4,5-dihydrooxazole
10431-98-8

2-ethyl-4,5-dihydrooxazole

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

N-{2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl}propionamide

N-{2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl}propionamide

Conditions
ConditionsYield
In toluene for 1h; Heating;
2-(dimethylamino)ethyl chloride
107-99-3

2-(dimethylamino)ethyl chloride

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

(2-butylbenzofuran-3-yl)-[4-(2-dimethylaminoethoxy)-3,5-diiodophenyl]methanone hydrochloride

(2-butylbenzofuran-3-yl)-[4-(2-dimethylaminoethoxy)-3,5-diiodophenyl]methanone hydrochloride

Conditions
ConditionsYield
With potassium carbonate In water; toluene Heating;
(2-chloroethyl)-diisopropylamine
96-79-7

(2-chloroethyl)-diisopropylamine

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

(2-butylbenzofuran-3-yl)[4-[2-(diisopropylamino)ethoxy]-3,5-diiodophenyl]methanone hydrochloride

(2-butylbenzofuran-3-yl)[4-[2-(diisopropylamino)ethoxy]-3,5-diiodophenyl]methanone hydrochloride

Conditions
ConditionsYield
With potassium carbonate In water; toluene Heating;
(2-chloroethyl)-diisopropylamine
96-79-7

(2-chloroethyl)-diisopropylamine

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

(2-butylbenzofuran-3-yl)-[4-(2-diisopropylaminoethoxy)-3,5-diiodophenyl]-methanone

(2-butylbenzofuran-3-yl)-[4-(2-diisopropylaminoethoxy)-3,5-diiodophenyl]-methanone

Conditions
ConditionsYield
With potassium carbonate In water; toluene at 55 - 60℃;
N-(2-chloroethyl)-pyrrolidine
5050-41-9

N-(2-chloroethyl)-pyrrolidine

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

C25H27I2NO3

C25H27I2NO3

Conditions
ConditionsYield
With potassium carbonate In water; toluene at 55 - 60℃;
2-(piperidin-4-yl)ethyl chloride
1932-03-2

2-(piperidin-4-yl)ethyl chloride

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

C26H29I2NO3

C26H29I2NO3

Conditions
ConditionsYield
With potassium carbonate In water; toluene at 55 - 60℃;
3-(Dimethylamino)propyl chloride
109-54-6

3-(Dimethylamino)propyl chloride

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

C24H27I2NO3

C24H27I2NO3

Conditions
ConditionsYield
With potassium carbonate In water; toluene at 55 - 60℃;
(2-chloroethyl)dimethylamine hydrochloride
4584-46-7

(2-chloroethyl)dimethylamine hydrochloride

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

(2-butyl-benzofuran-3-yl)-[4-(2-dimethylamino-ethoxy)-3,5-diiodo-phenyl]-methanone

(2-butyl-benzofuran-3-yl)-[4-(2-dimethylamino-ethoxy)-3,5-diiodo-phenyl]-methanone

Conditions
ConditionsYield
With potassium carbonate In water; toluene at 55 - 60℃;
2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

[4-(2-aminoethoxy)-3,5-diiodophenyl]-(2-butylbenzofuran-3-yl)methanone hydrochloride

[4-(2-aminoethoxy)-3,5-diiodophenyl]-(2-butylbenzofuran-3-yl)methanone hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: toluene / 1 h / Heating
2: 0.6 g / aq. HCl / 3.5 h / 130 °C
View Scheme
2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

2-n-butyl-3-(3,5-diiodo-4-carboxymethoxy-benzoyl)benzofuran

2-n-butyl-3-(3,5-diiodo-4-carboxymethoxy-benzoyl)benzofuran

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aq. NaOH / 16 h / 22 °C
View Scheme
Multi-step reaction with 2 steps
1: K2CO3 / acetone / 24 h / 50 °C
2: 1 M aq. NaOH / methanol / 15 h / 50 °C
View Scheme
2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

2-n-butyl-3-(4-[(2-methoxyethoxy)methoxy]-3,5-diiodobenzoyl)benzofuran

2-n-butyl-3-(4-[(2-methoxyethoxy)methoxy]-3,5-diiodobenzoyl)benzofuran

Conditions
ConditionsYield
With sodium hydroxide; NaH In tetrahydrofuran; mineral oil1.042 g (100%)
4-bromoethylbutanoate
2969-81-5

4-bromoethylbutanoate

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran
1951-26-4

2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran

2-butyl-3-[3,5-diiodo-4-(3-carboxypropyloxy)-benzoyl]benzofuran

2-butyl-3-[3,5-diiodo-4-(3-carboxypropyloxy)-benzoyl]benzofuran

Conditions
ConditionsYield
With hydrogenchloride; potassium hydroxide; potassium carbonate In dichloromethane; water; isopropyl alcohol; acetonitrile

2-Butyl-3-(3,5-Diiodo-4-hydroxy benzoyl) benzofuran Specification

The 2-Butyl-3-(3,5-Diiodo-4-hydroxy benzoyl) benzofuran, with the CAS registry number 1951-26-4, is also known as Methanone, (2-butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)-. It belongs to the product categories of Building Blocks; Furan & Benzofuran; Heterocyclic Compounds; Heterocycles; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 217-773-7. This chemical's molecular formula is C19H16I2O3 and molecular weight is 546.14. What's more, its systematic name is (2-Butyl-1-benzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone. This chemical is used as intermediates of amiodarone hydrochloride and amiodarone.

Physical properties of 2-Butyl-3-(3,5-Diiodo-4-hydroxy benzoyl) benzofuran are: (1)ACD/LogP: 5.795; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.05; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 2691.95; (6)ACD/BCF (pH 7.4): 51.61; (7)ACD/KOC (pH 5.5): 6099.68; (8)ACD/KOC (pH 7.4): 116.94; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 50.44 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 112.698 cm3; (15)Molar Volume: 292.865 cm3; (16)Polarizability: 44.677×10-24cm3; (17)Surface Tension: 57.69 dyne/cm; (18)Density: 1.865 g/cm3; (19)Flash Point: 278.43 °C; (20)Enthalpy of Vaporization: 84.406 kJ/mol; (21)Boiling Point: 536.773 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(cc(I)c1O)C(=O)c2c3ccccc3oc2CCCC
(2)Std. InChI: InChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3
(3)Std. InChIKey: PNFMEGSMKIHDFZ-UHFFFAOYSA-N 

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