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| CAS No.: | 551001-79-7 |
|---|---|
| Name: | 5-methoxybenzofuran-2-ylboronic acid |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C9H9BO4 |
| Molecular Weight: | 191.979 |
| Synonyms: | (5-Methoxy-1-benzofuran-2-yl)boronic acid;5-Methoxybenzofuran-2-ylboronic acid;5-Methoxybenzofuran-2-boronic acid; |
| EINECS: | 1592732-453-0 |
| Density: | 1.317 g/cm3 |
| Boiling Point: | 377.103 °C at 760 mmHg |
| Flash Point: | 181.866 °C |
| PSA: | 62.83000 |
| LogP: | 0.12120 |
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- 99170-93-1N-Methyl-2-oxazolamine
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 13391-28-1
5-methoxybenzofuran
- 551001-79-7
(5-methoxy-1-benzofuran-2-yl)boronic acid
| Conditions | Yield |
|---|---|
| Stage #1: 5-methoxybenzofuran With n-butyllithium In tetrahydrofuran at -78℃; Stage #2: With Triisopropyl borate In tetrahydrofuran | 92% |
| Stage #1: 5-methoxybenzofuran With n-butyllithium In tetrahydrofuran; hexane at -30℃; for 1.5h; Stage #2: With Trimethyl borate In tetrahydrofuran; hexane at -30 - 10℃; for 2.17h; Stage #3: With hydrogenchloride In tetrahydrofuran; hexane; water at 10℃; | 76% |
| Stage #1: 5-methoxybenzofuran With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: With Triisopropyl borate In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #3: With hydrogenchloride In tetrahydrofuran; hexane at 20℃; | 37% |
- 13391-28-1
5-methoxybenzofuran
- 5419-55-6
Triisopropyl borate
- 7732-18-5
water
- 551001-79-7
(5-methoxy-1-benzofuran-2-yl)boronic acid
| Conditions | Yield |
|---|---|
| Stage #1: 5-methoxybenzofuran With n-butyllithium In tetrahydrofuran at -60 - -10℃; for 1.25h; Inert atmosphere; Stage #2: Triisopropyl borate In tetrahydrofuran at -60 - 20℃; Stage #3: water With hydrogenchloride In tetrahydrofuran at 20℃; for 1h; | 76% |
- 13391-28-1
5-methoxybenzofuran
- 5419-55-6
Triisopropyl borate
- 551001-79-7
(5-methoxy-1-benzofuran-2-yl)boronic acid
| Conditions | Yield |
|---|---|
| Stage #1: 5-methoxybenzofuran With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.333333h; Stage #2: Triisopropyl borate In tetrahydrofuran; hexane at -78 - 20℃; for 2h; | 69.8% |
| With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1.5h; Inert atmosphere; | 37% |
| Stage #1: 5-methoxybenzofuran With n-butyllithium Stage #2: Triisopropyl borate Stage #3: With hydrogenchloride |
- 13391-28-1
5-methoxybenzofuran
- 688-74-4
boric acid tributyl ester
- 551001-79-7
(5-methoxy-1-benzofuran-2-yl)boronic acid
| Conditions | Yield |
|---|---|
| Stage #1: 5-methoxybenzofuran With n-butyllithium In tetrahydrofuran; hexane at -30℃; for 1h; Stage #2: boric acid tributyl ester In tetrahydrofuran; hexane at 14℃; for 12h; Stage #3: With hydrogenchloride In tetrahydrofuran; hexane; water | 48% |
- 551001-79-7
(5-methoxy-1-benzofuran-2-yl)boronic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water In tetrahydrofuran; hexanes |
- 13391-28-1
5-methoxybenzofuran
- 1776-66-5
triisopropylborane
- 551001-79-7
(5-methoxy-1-benzofuran-2-yl)boronic acid
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran at -78℃; |
- 69045-79-0
2-choro-5-iodopyridine
- 551001-79-7
(5-methoxy-1-benzofuran-2-yl)boronic acid
| Conditions | Yield |
|---|---|
| With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate In ethanol for 4h; Suzuki Coupling; Inert atmosphere; Reflux; | 91% |
| With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate In ethanol for 3h; Reflux; | 63% |
- 551001-79-7
(5-methoxy-1-benzofuran-2-yl)boronic acid
- 1268867-67-9
methyl 2-chloro-3-(isopropyl(methyl)amino)quinoxaline-6-carboxylate
- 1396750-48-3
methyl 3-(isopropyl(methyl)amino)-2-(5-methoxybenzofuran-2-yl)-4a,8a-dihydroquinoxaline-6-carboxylate
| Conditions | Yield |
|---|---|
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane; water at 90℃; for 1h; Inert atmosphere; | 73% |
- 551001-79-7
(5-methoxy-1-benzofuran-2-yl)boronic acid
- 13091-23-1
4-chloro-3-nitropyridine
| Conditions | Yield |
|---|---|
| Stage #1: (5-methoxy-1-benzofuran-2-yl)boronic acid; 4-chloro-3-nitropyridine With sodium carbonate In 1,4-dioxane for 0.0833333h; Inert atmosphere; Sonication; Stage #2: With tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 70℃; for 16h; Inert atmosphere; | 61% |
- 551001-79-7
(5-methoxy-1-benzofuran-2-yl)boronic acid
- 1458-01-1
3,5-diamino-6-chloro-pyrazine-2-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In methanol; toluene Suzuki-Miyaura Coupling; Inert atmosphere; Reflux; | 59% |
- Total:28 Page 1 of 1 1
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Specification
The 5-methoxybenzofuran-2-ylboronic acid, with the CAS registry number 551001-79-7, is also known Boronic acid, B-(5-methoxy-2-benzofuranyl)-. This chemical's molecular formula is C9H9BO4 and molecular weight is 191.98. What's more, its systematic name is (5-methoxy-1-benzofuran-2-yl)boronic acid.
Physical properties of 5-methoxybenzofuran-2-ylboronic acid are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 221; (8)ACD/KOC (pH 7.4): 13; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.83 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 49.694 cm3; (15)Molar Volume: 145.785 cm3; (16)Polarizability: 19.7×10-24cm3; (17)Surface Tension: 51.457 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 181.866 °C; (20)Enthalpy of Vaporization: 65.913 kJ/mol; (21)Boiling Point: 377.103 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cc2cc(ccc2o1)OC;
(2)InChI: InChI=1S/C9H9BO4/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5,11-12H,1H3;
(3)InChIKey: XLIQZZGLIJLKTF-UHFFFAOYSA-N;