Product Name

  • Name

    Isobutaneboronic acid

  • EINECS 617-531-4
  • CAS No. 84110-40-7
  • Article Data14
  • CAS DataBase
  • Density 0.91 g/cm3
  • Solubility
  • Melting Point 108-111 °C
  • Formula C4H11BO2
  • Boiling Point 180 °C at 760 mmHg
  • Molecular Weight 101.941
  • Flash Point 62.7 °C
  • Transport Information
  • Appearance white flake
  • Safety 37/39-26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 84110-40-7 (Isobutaneboronic acid)
  • Hazard Symbols IrritantXi
  • Synonyms 1-Propaneboronicacid, 2-methyl- (6CI,7CI);Boronic acid, (2-methylpropyl)- (9CI);2-Methylpropylboronic acid;Isobutyl boronic acid;Isobutylboric acid;
  • PSA 40.46000
  • LogP 0.11520

Synthetic route

trifluoro(isobutyl)- λ4-borane potassium salt

trifluoro(isobutyl)- λ4-borane potassium salt

Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

Conditions
ConditionsYield
With water; silica gel at 20℃; for 1h; Inert atmosphere;73%
triisobutylborane
1116-39-8

triisobutylborane

Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

Conditions
ConditionsYield
With sodium hydroxide; air
With H2O
isobutyl-bis-isobutylperoxy-borane
109511-11-7

isobutyl-bis-isobutylperoxy-borane

Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

isobutylboric acid dibutyl ester
22980-59-2

isobutylboric acid dibutyl ester

Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

Conditions
ConditionsYield
With water
Me2(CH2)2NHOB-C4H9-iso
112980-86-6

Me2(CH2)2NHOB-C4H9-iso

A

4-amino-4-methylpentan-2-ol
4404-98-2

4-amino-4-methylpentan-2-ol

B

2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine
26939-18-4

2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine

C

Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

Conditions
ConditionsYield
With sulfuric acid; acetonitrile In n-heptane at 0℃; for 5h; Title compound not separated from byproducts;
...Expand
Me2(CH2)2NHOB-C4H9-iso
112980-86-6

Me2(CH2)2NHOB-C4H9-iso

benzil
134-81-6

benzil

A

4-amino-4-methylpentan-2-ol
4404-98-2

4-amino-4-methylpentan-2-ol

B

2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine
26939-18-4

2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine

C

Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

Conditions
ConditionsYield
With sulfuric acid In n-heptane at 0℃; for 5h; Title compound not separated from byproducts;
...Expand
triisobutylborane
1116-39-8

triisobutylborane

1-methyl-4-nitrosobenzene
623-11-0

1-methyl-4-nitrosobenzene

air

air

Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

...Expand
boric acid trialkyl ester

boric acid trialkyl ester

isobutyl magnesium halide

isobutyl magnesium halide

Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

sec-butyldiisopropoxyborane
86595-33-7

sec-butyldiisopropoxyborane

Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

Conditions
ConditionsYield
With sulfuric acid
Trimethyl borate
121-43-7

Trimethyl borate

isobutylmagnesium bromide
926-62-5

isobutylmagnesium bromide

Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

Conditions
ConditionsYield
In diethyl ether
In diethyl ether
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

8-chloro-2,4-dimethyl-5,6-dihydrobenzo[c] acridine
1420651-23-5

8-chloro-2,4-dimethyl-5,6-dihydrobenzo[c] acridine

8-isobutyl-2,4-dimethyl-5,6-dihydrobenzo[c]acridine
1420651-26-8

8-isobutyl-2,4-dimethyl-5,6-dihydrobenzo[c]acridine

Conditions
ConditionsYield
Stage #1: Dihydroxy-isobutyl-boran; 8-chloro-2,4-dimethyl-5,6-dihydrobenzo[c] acridine With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; tris-(dibenzylideneacetone)dipalladium(0); tris(triphenylphosphine)ruthenium(II) chloride; potassium phosphate monohydrate In toluene for 0.333333h; Suzuki Coupling; Reflux;
Stage #2: Reflux;		99.6%
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

2-hydroxymethyl-1,3-propanediol
4704-94-3

2-hydroxymethyl-1,3-propanediol

2-isobutyl[1,3,2]dioxaborinan-5-yl-methanol
1186624-74-7

2-isobutyl[1,3,2]dioxaborinan-5-yl-methanol

Conditions
ConditionsYield
In diethyl ether at 20℃;99%
In diethyl ether byproducts: H2O;
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

1,1'-bicyclohexane-1,1'-diol
2888-11-1

1,1'-bicyclohexane-1,1'-diol

14-isobutyl-13,15-dioxa-14-boradispiro[5.0.5.3]pentadecane
1186624-77-0

14-isobutyl-13,15-dioxa-14-boradispiro[5.0.5.3]pentadecane

Conditions
ConditionsYield
In diethyl ether at 20℃;99%
In diethyl ether byproducts: H2O;
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

1-bromo-2-fluoro-4-nitrobenzene
185331-69-5

1-bromo-2-fluoro-4-nitrobenzene

2-fluoro-1-isobutyl-4-nitrobenzene

2-fluoro-1-isobutyl-4-nitrobenzene

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In water; toluene for 1h; Heating;99%
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

ethyl (R)-3-benzamido-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate

ethyl (R)-3-benzamido-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate

(R)-N-(2-hydroxy-5-oxo-1,2-oxaborolan-3-yl)benzamide

(R)-N-(2-hydroxy-5-oxo-1,2-oxaborolan-3-yl)benzamide

Conditions
ConditionsYield
With hydrogenchloride In methanol; water; pentane for 1h; Glovebox; Inert atmosphere;98%
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

(+)-pinanediol
57022-61-4, 57022-63-6

(+)-pinanediol

2-(2-methylpropyl)-(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole
84110-34-9

2-(2-methylpropyl)-(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole

Conditions
ConditionsYield
In diethyl ether at 20℃; for 23h;97.2%
With sodium sulfate In diethyl ether95%
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

pinanediol
18680-27-8

pinanediol

2-(2-methylpropyl)-(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole
84110-34-9

2-(2-methylpropyl)-(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole

Conditions
ConditionsYield
In diethyl ether97%
In diethyl ether at 40℃; for 8h;95%
With magnesium sulfate In diethyl ether94.8%
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

ortho-bromobenzaldehyde
6630-33-7

ortho-bromobenzaldehyde

2-isopentylbenzaldehyde
1268267-77-1

2-isopentylbenzaldehyde

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In toluene for 2h; Inert atmosphere; Reflux;97%
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

2,4,6-trimethylphenyl bromide
576-83-0

2,4,6-trimethylphenyl bromide

2-isobutyl-1,3,5-trimethylbenzene

2-isobutyl-1,3,5-trimethylbenzene

Conditions
ConditionsYield
With potassium phosphate monohydrate; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; C20H34O3P2 In toluene at 100℃; Suzuki-Miyaura Coupling; Inert atmosphere;96%
dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane
657408-07-6

dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane

Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

5,7-dichloro isoquinoline
73075-58-8

5,7-dichloro isoquinoline

5,7-diisobutylisoquinoline
1443013-08-8

5,7-diisobutylisoquinoline

Conditions
ConditionsYield
With tris-(dibenzylideneacetone)dipalladium(0) In hexane; water; toluene95%
...Expand
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

4-amino-3,5-dichlorobenzonitrile
78473-00-4

4-amino-3,5-dichlorobenzonitrile

4-amino-3,5-diisobutylbenzonitrile

4-amino-3,5-diisobutylbenzonitrile

Conditions
ConditionsYield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0) In toluene at 130℃; for 12h; Inert atmosphere;95%
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; bis(dibenzylideneacetone)-palladium(0) In toluene at 130℃; for 12h; Inert atmosphere;95%
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0) In toluene at 130℃; for 8h; Inert atmosphere;87%
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

4-chloro-2-(3,5-dimethylphenyl)quinoline

4-chloro-2-(3,5-dimethylphenyl)quinoline

2-(3,5-dimethylphenyl)-4-isobutylquinoline

2-(3,5-dimethylphenyl)-4-isobutylquinoline

Conditions
ConditionsYield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0) In water; toluene Inert atmosphere; Reflux;95%
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

(+)-α-pinanediol
20536-51-0

(+)-α-pinanediol

2-(2-methylpropyl)-(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole

2-(2-methylpropyl)-(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole

Conditions
ConditionsYield
In diethyl ether at 20℃; for 24h;94%
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

ethyl 5-bromo-3-(3-ethoxy-3-oxopropyl)-7-nitro-1H-indole-2-carboxylate

ethyl 5-bromo-3-(3-ethoxy-3-oxopropyl)-7-nitro-1H-indole-2-carboxylate

ethyl 3-(3-ethoxy-3-oxopropyl)-5-isobutyl-7-nitro-1H-indole-2-carboxylate

ethyl 3-(3-ethoxy-3-oxopropyl)-5-isobutyl-7-nitro-1H-indole-2-carboxylate

Conditions
ConditionsYield
With potassium phosphate; palladium diacetate; tri tert-butylphosphoniumtetrafluoroborate In water; toluene at 90℃; for 4h; Buchwald-Hartwig Coupling; Inert atmosphere;94%
With potassium phosphate; tri-tert-butylphosphonium tetrafluoroborate; palladium diacetate In water; toluene at 90℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere;94%
Dihydroxy-isobutyl-boran
84110-40-7

Dihydroxy-isobutyl-boran

C17H18ClNO

C17H18ClNO

C21H27NO

C21H27NO

Conditions
ConditionsYield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; tris-(dibenzylideneacetone)dipalladium(0); potassium phosphate monohydrate In toluene Inert atmosphere; Reflux;93%

Isobutaneboronic acid Chemical Properties

IUPAC Name: 2-methylpropylboronic acid 
Empirical Formula: C4H11BO2
Molecular Weight: 101.9399 
Structure of Boronic acid,B-(2-methylpropyl)- (CAS NO.84110-40-7):

Index of Refraction: 1.398
Molar Refractivity: 27.03 cm3
Molar Volume: 111.9 cm3
Polarizability: 10.71×10-24cm3
Surface Tension: 28.7 dyne/cm
Density: 0.91 g/cm3
Flash Point: 62.7 °C
Enthalpy of Vaporization: 48.46 kJ/mol 
Melting Point: 108-111 °C(lit.)
Boiling Point: 180 °C at 760 mmHg
Vapour Pressure: 0.27 mmHg at 25°C 
Product Categories: Boron, Nitrile, Thio,& TM-Cpds;Boronic acids;Organoborons;Alkyl;B (Classes of Boron Compounds);CHIRAL CHEMICALS 
Canonical SMILES: B(CC(C)C)(O)O
InChI: InChI=1S/C4H11BO2/c1-4(2)3-5(6)7/h4,6-7H,3H2,1-2H3
InChIKey: ZAZPDOYUCVFPOI-UHFFFAOYSA-N
Synonyms of Boronic acid,B-(2-methylpropyl)- (CAS NO.84110-40-7): (2-Methylpropyl)boronic acid ; Isobutylboronic acid ; 2-Methylprop-1-ylboronic acid 

Isobutaneboronic acid Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT

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