TERT-BUTYL 5-BROMO-1H-INDOLE-1-CARBOXYLATE

Modify Date: 2024-01-09 17:21:55

TERT-BUTYL 5-BROMO-1H-INDOLE-1-CARBOXYLATE Structure
TERT-BUTYL 5-BROMO-1H-INDOLE-1-CARBOXYLATE structure
Common Name TERT-BUTYL 5-BROMO-1H-INDOLE-1-CARBOXYLATE
CAS Number 182344-70-3 Molecular Weight 296.16000
Density 1.37g/cm3 Boiling Point 367.9ºC at 760mmHg
Molecular Formula C13H14BrNO2 Melting Point 56-57ºC(lit.)
MSDS Chinese Flash Point 176.3ºC
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 1-BOC-5-bromoindole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.37g/cm3
Boiling Point 367.9ºC at 760mmHg
Melting Point 56-57ºC(lit.)
Molecular Formula C13H14BrNO2
Molecular Weight 296.16000
Flash Point 176.3ºC
Exact Mass 295.02100
PSA 31.23000
LogP 4.18700
Vapour Pressure 1.33E-05mmHg at 25°C
Index of Refraction 1.576

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 1-BOC-5-bromoindole
Synonyms:tert-Butyl 5-bromo-1H-indole-1-carboxylate

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
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:1-BOC-5-bromoindole
CAS number:182344-70-3

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, refrigerated.

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: C13H14BrNO2
Molecular weight: 296.2

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

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

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 26-36
RIDADR NONH for all modes of transport
HS Code 2933990090

 Synthetic Route

~99%

TERT-BUTYL 5-BROMO-1H-INDOLE-1-CARBOXYLATE Structure

TERT-BUTYL 5-BR...

CAS#:182344-70-3

Literature: Takeda Pharmaceutical Company Limited Patent: EP1731505 A1, 2006 ; Location in patent: Page/Page column 29-30 ; EP 1731505 A1

~96%

TERT-BUTYL 5-BROMO-1H-INDOLE-1-CARBOXYLATE Structure

TERT-BUTYL 5-BR...

CAS#:182344-70-3

Literature: THE TRUSTEES OF COLLUMBIA UNIVERSITY IN THE CITY OF NEW YORK Patent: WO2006/26368 A2, 2006 ; Location in patent: Page/Page column 91-92 ;

~53%

TERT-BUTYL 5-BROMO-1H-INDOLE-1-CARBOXYLATE Structure

TERT-BUTYL 5-BR...

CAS#:182344-70-3

Literature: Hodgkinson, Roy C.; Schulz, Jurgen; Willis, Michael C. Organic and Biomolecular Chemistry, 2009 , vol. 7, # 3 p. 432 - 434

~70%

TERT-BUTYL 5-BROMO-1H-INDOLE-1-CARBOXYLATE Structure

TERT-BUTYL 5-BR...

CAS#:182344-70-3

Literature: Shen, Xiaoqiang; Hyde, Alan M.; Buchwald, Stephen L. Journal of the American Chemical Society, 2010 , vol. 132, # 40 p. 14076 - 14078

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Articles2

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The lead compound 5-bromoindolyl-3-acetohydroxamic acid (10) was recently identified as a potent inhibitor of bacterial peptide deformylases (PDFs). The synthesis and associated activities of new vari...

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J. Org. Chem. 70(6) , 2357-60, (2005)

[reaction: see text] Propargylic diisopropylamines containing heterocycles, which were prepared readily from heterocyclic bromides and propargyldiisopropylamine by the Sonogashira coupling reaction, u...

 Synonyms

MFCD02090067
Tert-Butyl 5-Bromoindole-1-Carboxylate
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