- 52-49-31-Piperidinepropanol, a-cyclohexyl-a-phenyl-, hydrochloride (1:1)
- 52494-32-35-[(3-Methylphenyl)amino]-3H-1,3,4-thiadiazole-2-thione
- 52494-33-41,3,4-Thiadiazole-2(3H)-thione,5-[(2-methoxyphenyl)amino]-
- 52494-50-5Hydrazinecarbothioamide,2,2'-(1,4-phthalazinediyl)bis[N-methyl-
- 52494-53-81,2,4-Triazolo[3,4-a]phthalazine,6-chloro-
- 52495-41-7Aurate(1-),tetrabromo-, sodium (1:1), (SP-4-1)-
- 524-95-8Borinic acid,B,B-diphenyl-, 2-aminoethyl ester
- 52497-68-4Thymidine-alpha,alpha,alpha-t3
- 52498-25-6Angiotensin IIIinhibitor (human) (9CI)
- 52498-32-5L-Isoleucine,N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
Hot Products
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- 7631-86-9Silicon dioxide
- 302-79-4Tretinoin
- 77-92-9Citric acid
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
2-Butyl-3-(4-hydroxybenzoyl)benzofuran |
EINECS | 257-959-5 |
| CAS No. | 52490-15-0 | Density | 1.183 g/cm3 |
| PSA | 50.44000 | LogP | 4.71200 |
| Solubility | N/A | Melting Point |
119 °C |
| Formula | C19H18O3 | Boiling Point | 490.6 °C at 760 mmHg |
| Molecular Weight | 294.35 | Flash Point | 250.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ketone,2-butyl-3-benzofuranyl p-hydroxyphenyl (6CI,7CI);L 3372;NSC 85438;(2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone; |
Article Data | 12 |
2-Butyl-3-(4-hydroxybenzoyl)benzofuran Synthetic route
- 83790-87-8
2-n-butyl 3-(4-methoxy benzoyl)-benzofuran
- 52490-15-0
2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran
| Conditions | Yield |
|---|---|
| aluminium chloride In 1,1-dichloroethane; water | 100% |
| With aluminum (III) chloride In chlorobenzene at 80℃; for 2h; Inert atmosphere; | 91.6% |
| With aluminum (III) chloride In toluene at 80 - 90℃; Solvent; Temperature; Large scale; | 86.9% |
- 4265-27-4
2-n-butylbenzo[b]furan
- 100-07-2
4-methoxy-benzoyl chloride
- 52490-15-0
2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In dichloromethane at -20 - -15℃; for 10h; Reflux; | 92.8% |
| With aluminum (III) chloride In 1,2-dichloro-ethane at -10 - 60℃; for 7h; Temperature; | 92% |
| With aluminum (III) chloride In 1,2-dichloro-ethane at -20 - -10℃; for 10h; Reflux; Large scale; | 40.1% |
| Multi-step reaction with 2 steps 1: aluminum (III) chloride / 1,2-dichloro-ethane / -20 - -10 °C / Large scale 2: aluminum (III) chloride / toluene / 80 - 90 °C / Large scale View Scheme |
- 75-44-5
phosgene
- 4265-27-4
2-n-butylbenzo[b]furan
- 75-34-3
1,1-dichloroethane
- 52490-15-0
2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate; aluminium chloride In water; methoxybenzene | 70% |
- 100-07-2
4-methoxy-benzoyl chloride
- 52490-15-0
2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: carbon disulfide / 0.5 h / Inert atmosphere; Cooling with ice 1.2: 75 h / 0 - 20 °C 2.1: sodium thioethylate / N,N-dimethyl-formamide / 16 h / 110 °C View Scheme | |
| Multi-step reaction with 2 steps 1: aluminum (III) chloride / dichloromethane / 24 h / 20 °C / Inert atmosphere 2: aluminum (III) chloride / chlorobenzene / 2 h / 80 °C / Inert atmosphere View Scheme |
- 4265-27-4
2-n-butylbenzo[b]furan
- 52490-15-0
2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: carbon disulfide / 0.5 h / Inert atmosphere; Cooling with ice 1.2: 75 h / 0 - 20 °C 2.1: sodium thioethylate / N,N-dimethyl-formamide / 16 h / 110 °C View Scheme | |
| Multi-step reaction with 2 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 View Scheme | |
| Multi-step reaction with 2 steps 1: aluminum (III) chloride / dichloromethane / 24 h / 20 °C / Inert atmosphere 2: aluminum (III) chloride / chlorobenzene / 2 h / 80 °C / Inert atmosphere View Scheme |
- 138320-26-0
methyl 2-(2-formylphenoxy)hexanoate
- 52490-15-0
2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 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 View Scheme | |
| Multi-step reaction with 3 steps 1: sodium hydroxide / water / 20 - 30 °C / Large scale 2: acetic anhydride; sodium acetate / 90 - 100 °C / Large scale 3: aluminum (III) chloride / 1,2-dichloro-ethane / 10 h / -20 - -10 °C / Reflux; Large scale View Scheme | |
| Multi-step reaction with 4 steps 1: sodium hydroxide / water / 20 - 30 °C / Large scale 2: acetic anhydride; sodium acetate / 90 - 100 °C / Large scale 3: aluminum (III) chloride / 1,2-dichloro-ethane / -20 - -10 °C / Large scale 4: aluminum (III) chloride / toluene / 80 - 90 °C / Large scale View Scheme | |
| Multi-step reaction with 4 steps 1: toluene-4-sulfonic acid / methanol / 4 h / 20 - 30 °C / Large scale 2: sodium hydroxide / toluene; water / 4 h / 35 - 40 °C / Large scale 3: acetic anhydride; sodium acetate / 90 - 100 °C / Large scale 4: aluminum (III) chloride / 1,2-dichloro-ethane / 10 h / -20 - -10 °C / Reflux; Large scale View Scheme | |
| Multi-step reaction with 5 steps 1: toluene-4-sulfonic acid / methanol / 4 h / 20 - 30 °C / Large scale 2: sodium hydroxide / toluene; water / 4 h / 35 - 40 °C / Large scale 3: acetic anhydride; sodium acetate / 90 - 100 °C / Large scale 4: aluminum (III) chloride / 1,2-dichloro-ethane / -20 - -10 °C / Large scale 5: aluminum (III) chloride / toluene / 80 - 90 °C / Large scale View Scheme |
- 52490-15-0
2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 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 View Scheme | |
| Multi-step reaction with 3 steps 1: sodium hydroxide / toluene; water / 4 h / 35 - 40 °C / Large scale 2: acetic anhydride; sodium acetate / 90 - 100 °C / Large scale 3: aluminum (III) chloride / 1,2-dichloro-ethane / 10 h / -20 - -10 °C / Reflux; Large scale View Scheme | |
| Multi-step reaction with 4 steps 1: sodium hydroxide / toluene; water / 4 h / 35 - 40 °C / Large scale 2: acetic anhydride; sodium acetate / 90 - 100 °C / Large scale 3: aluminum (III) chloride / 1,2-dichloro-ethane / -20 - -10 °C / Large scale 4: aluminum (III) chloride / toluene / 80 - 90 °C / Large scale View Scheme |
- 138320-27-1
2-(2-formyl-phenoxy)-hexanoic acid
- 52490-15-0
2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 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 View Scheme | |
| Multi-step reaction with 2 steps 1: acetic anhydride; sodium acetate / 90 - 100 °C / Large scale 2: aluminum (III) chloride / 1,2-dichloro-ethane / 10 h / -20 - -10 °C / Reflux; Large scale View Scheme | |
| Multi-step reaction with 3 steps 1: acetic anhydride; sodium acetate / 90 - 100 °C / Large scale 2: aluminum (III) chloride / 1,2-dichloro-ethane / -20 - -10 °C / Large scale 3: aluminum (III) chloride / toluene / 80 - 90 °C / Large scale View Scheme |
- 5445-19-2
methyl 2-bromohexanoate
- 52490-15-0
2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 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 View Scheme | |
| Multi-step reaction with 2 steps 1.1: caesium carbonate; Aliquat 336 / ethyl acetate / 8 h / 80 °C / Large scale 1.2: 5 h / Reflux; Large scale 2.1: aluminum (III) chloride / 1,2-dichloro-ethane / 10 h / -20 - -10 °C / Reflux; Large scale View Scheme | |
| Multi-step reaction with 3 steps 1.1: caesium carbonate; Aliquat 336 / ethyl acetate / 8 h / 80 °C / Large scale 1.2: 5 h / Reflux; Large scale 2.1: aluminum (III) chloride / 1,2-dichloro-ethane / -20 - -10 °C / Large scale 3.1: aluminum (III) chloride / toluene / 80 - 90 °C / Large scale View Scheme |
- 90-02-8
salicylaldehyde
- 52490-15-0
2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 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 View Scheme | |
| Multi-step reaction with 2 steps 1.1: caesium carbonate; Aliquat 336 / ethyl acetate / 8 h / 80 °C / Large scale 1.2: 5 h / Reflux; Large scale 2.1: aluminum (III) chloride / 1,2-dichloro-ethane / 10 h / -20 - -10 °C / Reflux; Large scale View Scheme | |
| Multi-step reaction with 3 steps 1.1: caesium carbonate; Aliquat 336 / ethyl acetate / 8 h / 80 °C / Large scale 1.2: 5 h / Reflux; Large scale 2.1: aluminum (III) chloride / 1,2-dichloro-ethane / -20 - -10 °C / Large scale 3.1: aluminum (III) chloride / toluene / 80 - 90 °C / Large scale View Scheme |
2-Butyl-3-(4-hydroxybenzoyl)benzofuran Specification
The 2-Butyl-3-(4-hydroxybenzoyl)-benzofuran, with the CAS registry number 52490-15-0 and EINECS registry number 257-959-5, has the systematic name of (2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone. It belongs to the following product categories: Building blocks; Furan & Benzofuran; Aromatics Compounds; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. The molecular formula of this chemical is C19H18O3. What's more, it is always used as Inhibitor of enzyme.
The physical properties of 2-Butyl-3-(4-hydroxybenzoyl)-benzofuran are as following: (1)ACD/LogP: 5.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.37; (4)ACD/LogD (pH 7.4): 5.19; (5)ACD/BCF (pH 5.5): 7074.82; (6)ACD/BCF (pH 7.4): 4722.84; (7)ACD/KOC (pH 5.5): 19789.33; (8)ACD/KOC (pH 7.4): 13210.48; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 86.88 cm3; (15)Molar Volume: 248.7 cm3; (16)Polarizability: 34.44×10-24cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 250.5 °C; (20)Enthalpy of Vaporization: 78.59 kJ/mol; (21)Boiling Point: 490.6 °C at 760 mmHg; (22)Vapour Pressure: 3E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c2ccccc2oc1CCCC)c3ccc(O)cc3
(2)InChI: InChI=1/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
(3)InChIKey: ZHGKQUXXASLVQQ-UHFFFAOYAL
What can I do for you?
Get Best Price
