CAS No.14559-88-7,2,2-DIMETHYLETHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14559-88-7
Name:	2,2-DIMETHYLETHENYLBORONIC ACID
Article Data:	15

Formula:	C₄H₉BO₂
Molecular Weight:	99.9253
Synonyms:	1-Propene-1-boronicacid, 2-methyl- (7CI,8CI);Boronic acid, (2-methyl-1-propenyl)- (9CI);2-Methylprop-1-enylboronic acid;
Density:	0.952 g/cm³
Melting Point:	87 °C
Boiling Point:	190.6 °C at 760 mmHg
Flash Point:	69.1 °C
PSA:	40.46000
LogP:	-0.03540

Synthetic route

: 5419-55-6
Triisopropyl borate

: 3017-69-4
2-methyl-1-propenylbromide

: 7732-18-5
water

: 14559-88-7
2,2-dimethylethenylboronic acid

Conditions

Conditions	Yield
Stage #1: Triisopropyl borate; 2-methyl-1-propenylbromide With lithium In tetrahydrofuran at -50 - -40℃; Inert atmosphere; Stage #2: water With hydrogenchloride In tetrahydrofuran at 0 - 10℃; pH=3 - 4; Temperature; Reagent/catalyst; Inert atmosphere;	60.3%

...Expand

: 38614-36-7
2-methylpropen-1-ylmagnesium bromide

: 14559-88-7
2,2-dimethylethenylboronic acid

Conditions

Conditions	Yield
With Trimethyl borate; lithium chloride In tetrahydrofuran; diethyl ether at -78 - 20℃; Inert atmosphere;	55%
With Trimethyl borate In diethyl ether at -78 - 20℃;	41%
Stage #1: 2-methylpropen-1-ylmagnesium bromide With Trimethyl borate In tetrahydrofuran at -78 - 20℃; Inert atmosphere; Stage #2: With hydrogenchloride; water In tetrahydrofuran at 0 - 20℃; for 1.5h; Inert atmosphere;
Stage #1: 2-methylpropen-1-ylmagnesium bromide With Trimethyl borate In tetrahydrofuran at -70 - 20℃; for 3.58333h; Inert atmosphere; Stage #2: With N-methyliminodiacetic acid In tetrahydrofuran; dimethyl sulfoxide at 120 - 150℃; for 1h; Inert atmosphere; Stage #3: With water; sodium hydroxide In tetrahydrofuran at 20℃; for 0.25h;

: 3017-69-4
2-methyl-1-propenylbromide

: 6562-41-0
chloro-bis(dimethylamino)borane

: 7732-18-5
water

: 14559-88-7
2,2-dimethylethenylboronic acid

Conditions

Conditions	Yield
Stage #1: 2-methyl-1-propenylbromide; chloro-bis(dimethylamino)borane With lithium In tetrahydrofuran at -78 - -70℃; Inert atmosphere; Stage #2: water With hydrogenchloride In tetrahydrofuran at 0 - 10℃; pH=3 - 4; Inert atmosphere;	46.9%

...Expand

: 121-43-7
Trimethyl borate

: 29917-94-0
2-methylprop-1-enyllithium

: 14559-88-7
2,2-dimethylethenylboronic acid

Conditions

Conditions	Yield
und anschliessend mit wss.HCl;

: 121-43-7
Trimethyl borate

: 38614-36-7
2-methylpropen-1-ylmagnesium bromide

: 14559-88-7
2,2-dimethylethenylboronic acid

: 59278-44-3
tris(ethylenedioxyboryl)methane

: 67-64-1
acetone

: 14559-88-7
2,2-dimethylethenylboronic acid

Conditions

Conditions	Yield
(i) MeLi, Et2O, THF, CH2Cl2, (ii) /BRN= 635680/; Multistep reaction;

: 121-43-7
Trimethyl borate

2-methyl-propenyl magnesium halide: 2-methyl-propenyl magnesium halide

: 14559-88-7
2,2-dimethylethenylboronic acid

Conditions

Conditions	Yield
und Erwaermen des Reaktionsprodukts mit wss.H2SO4;

: C10H21BO2

: 14559-88-7
2,2-dimethylethenylboronic acid

Conditions

Conditions	Yield
With water; ammonium chloride In pentane at 20℃; for 0.5h;

: 90011-02-2
C6H13BO2

: 14559-88-7
2,2-dimethylethenylboronic acid

Conditions

Conditions	Yield
With hydrogenchloride; water In tetrahydrofuran at 0 - 20℃; for 1.5h;

: 14559-88-7
2,2-dimethylethenylboronic acid

: 1142224-41-6
methyl 3-bromo-4-(tetrahydro-2H-pyran-2-yloxy)benzoate

: 1142225-87-3
methyl 3-(2-methyl-1-propenyl)-4-(tetrahydro-2H-pyran-2-yloxy)benzoate

Conditions

Conditions	Yield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; palladium diacetate In water; N,N-dimethyl-formamide at 70℃; for 23h; Inert atmosphere;	100%
With potassium phosphate; 2-dicyclohexylphosphino-2′,6′-dimethoxybiphenyl; palladium diacetate In water; N,N-dimethyl-formamide at 70℃; for 23h; Suzuki Coupling; Inert atmosphere;	100%

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Specification

The Boronic acid,B-(2-methyl-1-propen-1-yl)-, with the CAS registry number 14559-88-7, is also known as 2,2-Dimethylethenylboronic acid. It belongs to the product category of Boronic Acids. This chemical's molecular formula is C₄H₉BO₂ and molecular weight is 99.92. Its IUPAC name is called 2-methylprop-1-enylboronic acid.

Physical properties of Boronic acid,B-(2-methyl-1-propen-1-yl)-: (1)ACD/LogP: 1.51; (2)ACD/LogD (pH 5.5): 1.51; (3)ACD/LogD (pH 7.4): 1.51; (4)ACD/BCF (pH 5.5): 8.29; (5)ACD/BCF (pH 7.4): 8.26; (6)ACD/KOC (pH 5.5): 158.18; (7)ACD/KOC (pH 7.4): 157.59; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.427; (12)Molar Refractivity: 26.97 cm³; (13)Molar Volume: 104.9 cm³; (14)Surface Tension: 29.7 dyne/cm; (15)Density: 0.952 g/cm³; (16)Flash Point: 69.1 °C; (17)Enthalpy of Vaporization: 49.67 kJ/mol; (18)Boiling Point: 190.6 °C at 760 mmHg; (19)Vapour Pressure: 0.145 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C=C(C)C)(O)O
(2)InChI: InChI=1S/C4H9BO2/c1-4(2)3-5(6)7/h3,6-7H,1-2H3
(3)InChIKey: FWJRSOGVYOIVOC-UHFFFAOYSA-N