tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate

Modify Date: 2024-01-03 08:48:24

tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate Structure
tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate structure
Common Name tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate
CAS Number 119285-07-3 Molecular Weight 278.350
Density 1.2±0.1 g/cm3 Boiling Point 470.4±45.0 °C at 760 mmHg
Molecular Formula C14H22N4O2 Melting Point 98-101ºC
MSDS N/A Flash Point 238.3±28.7 °C

 Names

Name tert-Butyl 4-(5-amino-2-pyridinyl)tetrahydro-1(2H)-pyrazinecarboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 470.4±45.0 °C at 760 mmHg
Melting Point 98-101ºC
Molecular Formula C14H22N4O2
Molecular Weight 278.350
Flash Point 238.3±28.7 °C
Exact Mass 278.174286
PSA 71.69000
LogP 0.60
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.569
Storage condition 2-8°C

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 4-(5-Aminopyridin-2-yl)piperazine-1-carboxylic acid tert-butyl ester
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301:Toxic if swallowed
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician

Section3. Composition/information on ingredients.
Ingredient name:4-(5-Aminopyridin-2-yl)piperazine-1-carboxylic acid tert-butyl ester
CAS number:119285-07-3

Section4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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
Not specified
Appearance:
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C14H22N4O2
Molecular weight:278.4

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
UN Number:UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (4-(5-Aminopyridin-2-yl)piperazine-1-carboxylic acid tert-
butyl ester)

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: Irritant;
Risk Phrases 25
Safety Phrases 45
HS Code 2933990090

 Synthetic Route

~99%

tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate Structure

tert-Butyl 4-(5...

CAS#:119285-07-3

Literature: WARNER-LAMBERT COMPANY, LLC Patent: US2005/182078 A1, 2005 ; Location in patent: Page/Page column 9; 12 ; US 20050182078 A1

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tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate Structure

tert-Butyl 4-(5...

CAS#:119285-07-3

Literature: Journal of Medicinal Chemistry, , vol. 54, # 7 p. 2433 - 2446

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tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate Structure

tert-Butyl 4-(5...

CAS#:119285-07-3

Literature: Journal of Medicinal Chemistry, , vol. 54, # 7 p. 2433 - 2446

~%

tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate Structure

tert-Butyl 4-(5...

CAS#:119285-07-3

Literature: US2011/224137 A1, ; US 20110224137 A1

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tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate Structure

tert-Butyl 4-(5...

CAS#:119285-07-3

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 16 p. 4779 - 4783

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tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate Structure

tert-Butyl 4-(5...

CAS#:119285-07-3

Literature: Tetrahedron Letters, , vol. 52, # 45 p. 5905 - 5909

 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%

 Synonyms

1-Boc-4-(5-Aminopyridin-2-yl)piperazine
1-Piperazinecarboxylic acid, 4-(5-amino-2-pyridinyl)-, 1,1-dimethylethyl ester
2-Methyl-2-propanyl 4-(5-amino-2-pyridinyl)-1-piperazinecarboxylate
4-(5-Amino-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate
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