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Cas Database |
| Name |
4-Chloro-2-methoxyphenylboronic acid |
EINECS | N/A |
| CAS No. | 762287-57-0 | Density | 1.325 g/cm3 |
| PSA | 49.69000 | LogP | 0.02840 |
| Solubility | N/A | Melting Point |
128-134 °C |
| Formula | C7H8BClO3 | Boiling Point | 345.436 °C at 760 mmHg |
| Molecular Weight | 186.403 | Flash Point | 162.714 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Boronicacid, (4-chloro-2-methoxyphenyl)- (9CI); |
Article Data | 6 |
4-Chloro-2-methoxyphenylboronic acid Synthetic route
- 174913-09-8
2-bromo-5-chloroanisole
- 121-43-7
Trimethyl borate
- 762287-57-0
(4-chloro-2-methoxyphenyl)boronic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-5-chloroanisole With n-butyllithium In tetrahydrofuran; hexane at -30℃; Inert atmosphere; Flow reactor; Stage #2: Trimethyl borate In tetrahydrofuran; hexane at -30℃; Inert atmosphere; Flow reactor; | 98% |
| Stage #1: 2-bromo-5-chloroanisole With n-butyllithium In tetrahydrofuran at -78℃; for 0.666667h; Inert atmosphere; Stage #2: Trimethyl borate In tetrahydrofuran at 20℃; for 3h; Inert atmosphere; | 73% |
| Stage #1: 2-bromo-5-chloroanisole With n-butyllithium In tetrahydrofuran at -80℃; for 1h; Stage #2: Trimethyl borate In tetrahydrofuran at 20℃; | 70% |
| Stage #1: 2-bromo-5-chloroanisole With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Stage #2: Trimethyl borate In tetrahydrofuran; hexane at 20℃; for 24h; | 50% |
- 174913-09-8
2-bromo-5-chloroanisole
- 762287-57-0
(4-chloro-2-methoxyphenyl)boronic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-5-chloroanisole With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Stage #2: With triisopropyl borate Stage #3: With hydrogenchloride In water; ethyl acetate |
- 762287-57-0
(4-chloro-2-methoxyphenyl)boronic acid
| Conditions | Yield |
|---|---|
| With [Rh(OH)(cod)]2 In 1,4-dioxane; water at 80℃; for 2h; | 100% |
- 762287-57-0
(4-chloro-2-methoxyphenyl)boronic acid
- 38573-88-5
1-bromo-2,3-difluorobenzene
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 110℃; | 99% |
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 110℃; | 99% |
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 110℃; | 99% |
- 762287-57-0
(4-chloro-2-methoxyphenyl)boronic acid
- 1435-54-7
1,3-dibromo-2-fluorobenzene
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 110℃; | 98% |
| With tetrakis(triphenylphosphine) palladium(0); tetrabutyl-ammonium chloride; potassium carbonate In ethanol; water; toluene at 78℃; for 8h; Inert atmosphere; | 76% |
- 2402-79-1
2,3,5,6-tetrachloropyridine
- 762287-57-0
(4-chloro-2-methoxyphenyl)boronic acid
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,2-dimethoxyethane for 6h; Inert atmosphere; Reflux; | 95% |
- 762287-57-0
(4-chloro-2-methoxyphenyl)boronic acid
- 1620515-75-4
5-bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
- 1620516-01-9
5-(4-chloro-2-methoxyphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 80℃; for 18h; Inert atmosphere; | 89% |
- 762287-57-0
(4-chloro-2-methoxyphenyl)boronic acid
- 1238196-66-1
(4-chloro-2-hydroxyphenyl)boronic acid
| Conditions | Yield |
|---|---|
| Stage #1: (4-chloro-2-methoxyphenyl)boronic acid With boron tribromide In dichloromethane at 20℃; for 1h; Stage #2: With water In dichloromethane | 87% |
| Stage #1: (4-chloro-2-methoxyphenyl)boronic acid With boron tribromide In dichloromethane at -78 - 20℃; Inert atmosphere; Stage #2: With methanol In dichloromethane at -78℃; Inert atmosphere; | |
| With boron tribromide In dichloromethane at 0 - 20℃; for 19h; |
- 762287-57-0
(4-chloro-2-methoxyphenyl)boronic acid
- 959139-32-3
2-[3-bromo-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-{1-methyl-1-[(3-trifluoromethyl)phenyl]ethyl}-acetamide
- 959132-85-5
2-[3-(4-chloro-2-methoxyphenyl)-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[1-methyl-1-(3-trifluoromethyl-phenyl)ethyl]-acetamide
| Conditions | Yield |
|---|---|
| With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In water; N,N-dimethyl-formamide at 90℃; for 5h; Inert atmosphere; | 83% |
- 762287-57-0
(4-chloro-2-methoxyphenyl)boronic acid
- 1312098-71-7
4-bromo-3-(4-hydroxyphenyl)thiophene-2-carbaldehyde
- 1353572-40-3
4-bromo-3-(4-hydroxyphenyl)thiophene-2-carbaldehyde
| Conditions | Yield |
|---|---|
| With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In ethanol; water; toluene at 100℃; | 79% |
4-Chloro-2-methoxyphenylboronic acid Specification
The 4-Chloro-2-methoxyphenylboronic acid, with the CAS registry number 762287-57-0, is also known as Boronicacid, (4-chloro-2-methoxyphenyl)- (9CI). It belongs to the product categories of Blocks; Boronic Acids; Boronic Acid. This chemical's molecular formula is C7H8BClO3 and molecular weight is 186.40. What's more, its systematic name is (4-Chloro-2-methoxyphenyl)boronic acid.
Physical properties of 4-Chloro-2-methoxyphenylboronic acid are: (1)ACD/LogP: 2.332; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 34.79; (6)ACD/BCF (pH 7.4): 31.79; (7)ACD/KOC (pH 5.5): 441.44; (8)ACD/KOC (pH 7.4): 403.27; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 44.481 cm3; (15)Molar Volume: 140.708 cm3; (16)Polarizability: 17.634×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.325 g/cm3; (19)Flash Point: 162.714 °C; (20)Enthalpy of Vaporization: 62.214 kJ/mol; (21)Boiling Point: 345.436 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(OC)c(B(O)O)cc1
(2)Std. InChI: InChI=1S/C7H8BClO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,10-11H,1H3
(3)Std. InChIKey: NZRRMTBNTSBIFH-UHFFFAOYSA-N
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