1-Boc-5-Cyanoindole-2-boronic acid

Modify Date: 2024-01-14 12:14:44

1-Boc-5-Cyanoindole-2-boronic acid Structure
1-Boc-5-Cyanoindole-2-boronic acid structure
Common Name 1-Boc-5-Cyanoindole-2-boronic acid
CAS Number 475102-15-9 Molecular Weight 286.091
Density 1.2±0.1 g/cm3 Boiling Point 509.1±60.0 °C at 760 mmHg
Molecular Formula C14H15BN2O4 Melting Point 260-270ºC
MSDS USA Flash Point 261.7±32.9 °C

 Names

Name [5-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 509.1±60.0 °C at 760 mmHg
Melting Point 260-270ºC
Molecular Formula C14H15BN2O4
Molecular Weight 286.091
Flash Point 261.7±32.9 °C
Exact Mass 286.112488
PSA 95.48000
LogP 2.67
Vapour Pressure 0.0±1.4 mmHg at 25°C
Index of Refraction 1.567
Storage condition Keep Cold

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 1-BOC-5-Cyanoindole-2-boronic acid
Synonyms:5-Cyano-1-tert-butoxycarbonylindole-2-boronic acid; 1-BOC-5-Cyano-2-indoleboronic acid

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302:Harmful if swallowed
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
P280:Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340:IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405:Store locked up

Section3. Composition/information on ingredients.
Ingredient name:1-BOC-5-Cyanoindole-2-boronic acid
CAS number:475102-15-9

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.
Store in closed vessels, under −20◦C.
Storage:

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:C14H15BN2O4
Molecular weight:286.1

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

Hazard Codes Xi

 Synthetic Route

~80%

1-Boc-5-Cyanoindole-2-boronic acid Structure

1-Boc-5-Cyanoin...

CAS#:475102-15-9

Literature: Mizuta, Masahiro; Seio, Kohji; Miyata, Kenichi; Sekine, Mitsuo Journal of Organic Chemistry, 2007 , vol. 72, # 14 p. 5046 - 5055

~%

1-Boc-5-Cyanoindole-2-boronic acid Structure

1-Boc-5-Cyanoin...

CAS#:475102-15-9

Literature: Aventis Pharma S.A. Patent: US2004/242559 A1, 2004 ; Location in patent: Page 19 ; US 20040242559 A1

~%

1-Boc-5-Cyanoindole-2-boronic acid Structure

1-Boc-5-Cyanoin...

CAS#:475102-15-9

Literature: Vazquez, Enrique; Davies, Ian W.; Payack, Joseph F. Journal of Organic Chemistry, 2002 , vol. 67, # 21 p. 7551 - 7552

~%

1-Boc-5-Cyanoindole-2-boronic acid Structure

1-Boc-5-Cyanoin...

CAS#:475102-15-9

Literature: Vazquez, Enrique; Davies, Ian W.; Payack, Joseph F. Journal of Organic Chemistry, 2002 , vol. 67, # 21 p. 7551 - 7552

 Synonyms

MFCD04114578
5-Cyano-1H-indole-2-boronic acid,N-BOC protected
N-Boc-5-cyanoindole-2-boronic acid
(5-Cyano-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid
N-tert-butoxycarbonyl-5-cyano-1H-indole-2-boronic acid
[1-(tert-Butoxycarbonyl)-5-cyano-1H-indol-2-yl]boronic acid
1H-Indole-1-carboxylic acid, 2-borono-5-cyano-, 1,1-dimethylethyl ester
1-BOC-5-Cyanoindole-2-boronic acid
1-Boc-5-Cyano-1H-indole-2-boronic acid
(1-(tert-Butoxycarbonyl)-5-cyano-1H-indol-2-yl)boronic acid
5-cyanoindole-1-Boc-2-boronic acid
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