Welcome to LookChem.com Sign In|Join Free

CAS

  • or
Isobutaneboronic acid, also known as isobutylboronic acid, is an organic compound that has been used to synthesize potent and selective dipeptidyl boronic acid proteasome inhibitors. These inhibitors are promising therapeutics for the treatment of cancer and inflammatory diseases.

84110-40-7 Suppliers

Post Buying Request

Recommended suppliersmore

  • Product
  • FOB Price
  • Min.Order
  • Supply Ability
  • Supplier
  • Contact Supplier
  • 84110-40-7 Structure
  • Basic information

    1. Product Name: Isobutaneboronic acid
    2. Synonyms: RARECHEM AH PB 0258;2-METHYL-1-PROPYLBORONIC ACID;2-METHYL-1-PROPANEBORONIC ACID;(2-METHYLPROPYL)BORONIC ACID;1-ISOBUTANEBORONIC ACID;ISOBUTYLBORONIC ACID;2-Methylprop-1-ylboronic acid;Isobutylboronic
    3. CAS NO:84110-40-7
    4. Molecular Formula: C4H11BO2
    5. Molecular Weight: 101.94
    6. EINECS: 1312995-182-4
    7. Product Categories: Boron, Nitrile, Thio,& TM-Cpds;Boronic acids;Organoborons;Alkyl;B (Classes of Boron Compounds);CHIRAL CHEMICALS
    8. Mol File: 84110-40-7.mol
  • Chemical Properties

    1. Melting Point: 108-111 °C(lit.)
    2. Boiling Point: 180 °C at 760 mmHg
    3. Flash Point: 62.7 °C
    4. Appearance: White to cream/Crystalline Powder or Flakes
    5. Density: 0.91 g/cm3
    6. Vapor Pressure: 0.27mmHg at 25°C
    7. Refractive Index: 1.398
    8. Storage Temp.: 0-6°C
    9. Solubility: Acetonitrile (Slightly), DMSO, Methanol (Slightly)
    10. PKA: 10.49±0.43(Predicted)
    11. CAS DataBase Reference: Isobutaneboronic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: Isobutaneboronic acid(84110-40-7)
    13. EPA Substance Registry System: Isobutaneboronic acid(84110-40-7)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 37/39-26
    4. WGK Germany: 3
    5. RTECS:
    6. TSCA: No
    7. HazardClass: IRRITANT
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 84110-40-7(Hazardous Substances Data)

84110-40-7 Usage

Uses

Used in Suzuki Reaction:
Isobutaneboronic acid is used as a reactant in the Suzuki reaction, a type of cross-coupling reaction that forms carbon-carbon bonds. This reaction is widely used in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals.
Used in Pharmaceutical Industry:
Isobutaneboronic acid is used as a reactant in the preparation of isocoumarin analogs as inhibitors of γ-secretase cleavage. These analogs have potential applications in the treatment of neurodegenerative diseases such as Alzheimer's disease.
Used in Peptide Synthesis:
Isobutaneboronic acid is used as a reactant in the preparation of peptide boronic acids, which are important building blocks in the synthesis of various bioactive peptides and peptidomimetics.
Used in Polymerization Industry:
Isobutaneboronic acid can be used as a catalyst along with aluminum hydroxide and boric acid in the polymerization of styrene. This application contributes to the development of new polymer materials with improved properties.
Used in Organic Synthesis:
Isobutaneboronic acid is used as a reactant in copper-catalyzed cross-coupling reactions, which are important for the formation of carbon-carbon bonds in the synthesis of complex organic molecules.
Used in the Synthesis of Polyborylalkanes:
Isobutaneboronic acid is used as a reactant in the synthesis of polyborylalkanes by Ir-catalyzed C-H borylation reaction. This reaction provides a new method for the synthesis of polyborylalkanes, which have potential applications in various fields, including materials science and pharmaceuticals.
Used in the Preparation of Heterosubstituted Diazaboroles and Borinines:
Isobutaneboronic acid is used as a reactant in the preparation of heterosubstituted diazaboroles and borinines. These compounds have potential applications as catalysts, ligands, and pharmaceutical agents.

Reference

J. Adams, M. Behnke, S. Chen, A. A. Cruickshank, L. R. Dick, L. Grenier, J. M. Klunder, Y. Ma, L. Plamondon, R. L. Stein, Potent and selective inhibitors of the proteasome: Dipeptidyl boronic acids, Bioorganic & Medicinal Chemistry Letters, 1998, vol. 8, pp. 333-338

Check Digit Verification of cas no

The CAS Registry Mumber 84110-40-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,4,1,1 and 0 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 84110-40:
(7*8)+(6*4)+(5*1)+(4*1)+(3*0)+(2*4)+(1*0)=97
97 % 10 = 7
So 84110-40-7 is a valid CAS Registry Number.
InChI:InChI=1/C4H11BO2/c1-4(2)3-5(6)7/h4,6-7H,3H2,1-2H3

84110-40-7 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • TCI America

  • (I0597)  Isobutylboronic Acid (contains varying amounts of Anhydride)  

  • 84110-40-7

  • 5g

  • 740.00CNY

  • Detail
  • TCI America

  • (I0597)  Isobutylboronic Acid (contains varying amounts of Anhydride)  

  • 84110-40-7

  • 25g

  • 2,650.00CNY

  • Detail
  • Alfa Aesar

  • (H27698)  Isobutylboronic acid, 97%   

  • 84110-40-7

  • 1g

  • 162.0CNY

  • Detail
  • Alfa Aesar

  • (H27698)  Isobutylboronic acid, 97%   

  • 84110-40-7

  • 5g

  • 506.0CNY

  • Detail
  • Aldrich

  • (346225)  (2-Methylpropyl)boronicacid  ≥95.0%

  • 84110-40-7

  • 346225-1G

  • 271.44CNY

  • Detail
  • Aldrich

  • (346225)  (2-Methylpropyl)boronicacid  ≥95.0%

  • 84110-40-7

  • 346225-5G

  • 843.57CNY

  • Detail

84110-40-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Isobutylboronic Acid

1.2 Other means of identification

Product number -
Other names 2-methylpropylboronic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:84110-40-7 SDS

84110-40-7Synthetic 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;
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;
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

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%
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%

84110-40-7Relevant articles and documents

Efficient hydrolysis of organotrifluoroborates via silica gel and water

Molander, Gary A.,Cavalcanti, Livia N.,Canturk, Belgin,Pan, Po-Shen,Kennedy, Lauren E.

supporting information; experimental part, p. 7364 - 7369 (2010/01/16)

(Chemical Equation Presented) A general, mild, and efficient method for the hydrolysis of organotrifluoroborates to unveil boronic acids using silica gel and H2O was developed. This method proved to be tolerant of a broad range of aryl-, heteroaryl-, alkenyl-, and alkyltrifluoroborates as well as structurally diverse aminomethylated organotrifluoroborates.As anticipated, electron-rich substrates provided the corresponding boronic acids more readily than electron-poor substrates, owing to the resonance-stabilized difluoroborane intermediate. The method developed was expanded further for the conversion of organotrifluoroborates to the corresponding boronate esters. 2009 American Chemical Society.

P1 Phenethyl peptide boronic acid inhibitors of HCV NS3 protease

Priestley,De Lucca, Indawati,Ghavimi, Bahman,Erickson-Viitanen, Susan,Decicco, Carl P.

, p. 3199 - 3202 (2007/10/03)

A series of peptide boronic acids containing extended, hydrophobic P1 residues was prepared to probe the shallow, hydrophobic S1 region of HCV NS3 protease. The p-trifluoromethylphenethyl P1 substituent was identified as optimal with respect to inhibitor potency for NS3 and selectivity against elastase and chymotrypsin.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 84110-40-7