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551001-79-7

Basic Information
CAS No.: 551001-79-7
Name: Boronic acid, B-(5-methoxy-2-benzofuranyl)-
Article Data: 11
Cas Database
Molecular Structure:
Molecular Structure of 551001-79-7 (Boronic acid, B-(5-methoxy-2-benzofuranyl)-)
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
Melting Point: N/A
Boiling Point: 377.103 °C at 760 mmHg
Flash Point: 181.866 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 62.83000
LogP: 0.12120
Synthetic route
13391-28-1

5-methoxybenzofuran

551001-79-7

(5-methoxy-1-benzofuran-2-yl)boronic acid

Conditions
ConditionsYield
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

551001-79-7

(5-methoxy-1-benzofuran-2-yl)boronic acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%

C15H21BO4

551001-79-7

(5-methoxy-1-benzofuran-2-yl)boronic acid

Conditions
ConditionsYield
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
ConditionsYield
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

2‑chloro‑5‑(5‑methoxybenzofuran‑2‑yl)pyridine

Conditions
ConditionsYield
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
ConditionsYield
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

4-(5-methoxy-1-benzofuran-2-yl)-3-nitropyridine

Conditions
ConditionsYield
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

methyl 3,5-diamino-6-(5-methoxybenzofuran-2-yl)pyrazine-2-carboxylate

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In methanol; toluene Suzuki-Miyaura Coupling; Inert atmosphere; Reflux;59%
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  • Boronic acid, B-(5-methoxy-2-benzofuranyl)-

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    551001-79-7

    Boronic acid, B-(5-methoxy-2-benzofuranyl)-

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    Established in 2012, is a quick developing chemical and pharmaceutical high-tech enterprise, which is located in Minhang district of Shanghai. Our products and services include bo

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  • 5-Methoxybenzofuran-2-boronic acid

  • Casno:

    551001-79-7

    5-Methoxybenzofuran-2-boronic acid

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    High quality Application:Pharmaceutial

    Chamflyer Chemicals Co.Ltd is a fine organics manufacturing facility which located in Shanghai. We produce a wide range of boronic acids, pyridines, quinolines, indoles, oxazoles,

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  • Boronic acid, B-(5-methoxy-2-benzofuranyl)-

  • Casno:

    551001-79-7

    Boronic acid, B-(5-methoxy-2-benzofuranyl)-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    Manufacturer,strong R&D,professional team Storage:Store in a cool, dry place. Store in a tightly closed container. Package:according to your requirement Application:ZhiShang Chemical is owned by ZhiShang Group, is a professional new-type chemicals en

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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;