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| CAS No.: | 220210-56-0 |
|---|---|
| Name: | 3-tert-Butoxycarbonylphenylboronic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C11H15BO4 |
| Molecular Weight: | 222.049 |
| Synonyms: | 3-tert-Butoxycarbonylphenylboronicacid; |
| EINECS: | 691-957-9 |
| Density: | 1.15 g/cm3 |
| Melting Point: | 96-102°C |
| Boiling Point: | 375 °C at 760 mmHg |
| Flash Point: | 180.6 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 66.76000 |
| LogP: | 0.32170 |
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- 220210-56-0
3-(tert-butoxycarbonyl)phenylboronic acid
- 2298-07-9
4-Bromo-1-naphthylamine
| Conditions | Yield |
|---|---|
| With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium carbonate In 1,4-dioxane; water at 90℃; for 4h; | 100% |
- 220210-56-0
3-(tert-butoxycarbonyl)phenylboronic acid
| Conditions | Yield |
|---|---|
| With potassium phosphate; monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In toluene at 100℃; for 3h; Inert atmosphere; Glovebox; | 100% |
- 220210-56-0
3-(tert-butoxycarbonyl)phenylboronic acid
- 18680-27-8
pinanediol
- 1154427-21-0
tert-butyl 3-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)benzoate
| Conditions | Yield |
|---|---|
| With magnesium sulfate In diethyl ether at 20℃; for 3h; Inert atmosphere; | 99% |
| In tetrahydrofuran at 20℃; for 0.5h; | 85% |
- 220210-56-0
3-(tert-butoxycarbonyl)phenylboronic acid
- 31462-58-5
5-iodopyrimidine
- 1595294-71-5
tert-butyl 3-(pyrimidin-5-yl)benzoate
| Conditions | Yield |
|---|---|
| With potassium carbonate In ethanol; water at 90℃; for 0.5h; Suzuki Coupling; Microwave irradiation; | 99% |
- 220210-56-0
3-(tert-butoxycarbonyl)phenylboronic acid
- 7745-91-7
3-bromo-4-methylaniline
| Conditions | Yield |
|---|---|
| Stage #1: 3-bromo-4-methylaniline With potassium carbonate In water; toluene at 65℃; Inert atmosphere; Stage #2: 3-(tert-butoxycarbonyl)phenylboronic acid With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In water; toluene for 20h; Inert atmosphere; Reflux; | 98% |
- 220210-56-0
3-(tert-butoxycarbonyl)phenylboronic acid
- 1152274-51-5
N-(1-Bromoisoquinolin-3-yl)-1-(2,2-difluorobenzo-[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
- 1152274-55-9
tert-butyl 3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoate
| Conditions | Yield |
|---|---|
| With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane; water at 80℃; | 97% |
| Conditions | Yield |
|---|---|
| With potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0); tri tert-butylphosphoniumtetrafluoroborate In water; toluene at 90℃; for 14h; Heck-Suzuki cascade reaction; optical yield given as %de; diastereoselective reaction; | 97% |
- 220210-56-0
3-(tert-butoxycarbonyl)phenylboronic acid
- 65-85-0
benzoic acid
| Conditions | Yield |
|---|---|
| With [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); water In toluene at 90℃; for 1h; Microwave irradiation; Green chemistry; | 96% |
| Conditions | Yield |
|---|---|
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 80℃; for 12h; Inert atmosphere; | 96% |
| With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; toluene at 80℃; for 12h; Inert atmosphere; | 96% |
- 220210-56-0
3-(tert-butoxycarbonyl)phenylboronic acid
| Conditions | Yield |
|---|---|
| With sodium 2'‐(dicyclohexylphosphaneyl)‐2,6‐diisopropyl‐[1,1'‐biphenyl]‐3‐sulfonate; potassium phosphate; sodium tetrachloropalladate(II) In 1,4-dioxane; water at 100℃; for 0.5h; Suzuki-Miyaura Coupling; Sealed tube; Inert atmosphere; | 96% |
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Specification
This chemical is called 3-tert-Butoxycarbonylphenylboronic acid, and its CAS registry number is 220210-56-0. With the molecular formula of C11H15BO4, its molecular weight is 222.04. Additionally, its product categories are Blocks; Boronic Acids; Carboxes.
Other characteristics of the 3-tert-Butoxycarbonylphenylboronic acid can be summarised as followings: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 77.94; (6)ACD/BCF (pH 7.4): 53.18; (7)ACD/KOC (pH 5.5): 785.23; (8)ACD/KOC (pH 7.4): 535.78; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 58.29 cm3; (15)Molar Volume: 192.6 cm3; (16)Polarizability: 23.11×10-24cm3; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 180.6 °C; (20)Enthalpy of Vaporization: 65.67 kJ/mol; (21)Boiling Point: 375 °C at 760 mmHg; (22)Vapour Pressure: 2.74E-06 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. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)c1cc(B(O)O)ccc1
2.InChI: InChI=1/C11H15BO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7,14-15H,1-3H3
3.InChIKey: HVJDVHCPCSZDSR-UHFFFAOYAR