2-(Pivalamido)phenylboronic Acid

Modify Date: 2024-01-11 17:18:05

2-(Pivalamido)phenylboronic Acid Structure
2-(Pivalamido)phenylboronic Acid structure
Common Name 2-(Pivalamido)phenylboronic Acid
CAS Number 146140-95-6 Molecular Weight 221.06100
Density 1.13g/cm3 Boiling Point N/A
Molecular Formula C11H16BNO3 Melting Point 271 °C
MSDS N/A Flash Point N/A

 Names

Name 2-(tert-butylcarbonylamino)phenylboronic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.13g/cm3
Melting Point 271 °C
Molecular Formula C11H16BNO3
Molecular Weight 221.06100
Exact Mass 221.12200
PSA 69.56000
LogP 0.42400
Index of Refraction 1.532

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 2-(tert-Butylcarbonylamino)phenylboronic acid
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H319:Causes serious eye irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

Section3. Composition/information on ingredients.
Ingredient name:2-(tert-Butylcarbonylamino)phenylboronic acid
CAS number:146140-95-6

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C11H16BNO3
Molecular weight:221.1

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Risk Phrases R36/37/38
Safety Phrases S26
HS Code 2931900090

 Synthetic Route

~98%

2-(Pivalamido)phenylboronic Acid Structure

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CAS#:146140-95-6

Literature: VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2009/61875 A2, 2009 ; Location in patent: Page/Page column 38-39 ;

~98%

2-(Pivalamido)phenylboronic Acid Structure

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CAS#:146140-95-6

Literature: VERTEX PHARMACEUTICALS INCORPORATED; MACIKENAS, Dainius Patent: WO2009/76200 A2, 2009 ; Location in patent: Page/Page column 58 ;

~56%

2-(Pivalamido)phenylboronic Acid Structure

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CAS#:146140-95-6

Literature: Audoux, Jerome; Achelle, Sylvain; Turck, Alain; Marsais, Francis; Ple, Nelly Journal of Heterocyclic Chemistry, 2006 , vol. 43, # 6 p. 1497 - 1503

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2-(Pivalamido)phenylboronic Acid Structure

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CAS#:146140-95-6

Literature: EP619804 B1, ;

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2-(Pivalamido)phenylboronic Acid Structure

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CAS#:146140-95-6

Literature: Organic Letters, , vol. 13, # 14 p. 3738 - 3741

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2-(Pivalamido)phenylboronic Acid Structure

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CAS#:146140-95-6

Literature: Organic Letters, , vol. 13, # 14 p. 3738 - 3741

 Customs

HS Code 2931900090
Summary 2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

 Synonyms

2-(tert-Butylcarbonylamino)phenylboronic acid
2-(2,2,2-Trimethylacetamido)benzeneboronic acid
[2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
(2-Pivalamidophenyl)boronic acid
2-(tert-Butoxycarbonylamino)phenylboronic acid