Ethyl 3-oxo-3-(pyridin-4-yl)propanoate

Modify Date: 2024-01-02 17:01:44

Ethyl 3-oxo-3-(pyridin-4-yl)propanoate Structure
Ethyl 3-oxo-3-(pyridin-4-yl)propanoate structure
Common Name Ethyl 3-oxo-3-(pyridin-4-yl)propanoate
CAS Number 26377-17-3 Molecular Weight 193.199
Density 1.2±0.1 g/cm3 Boiling Point 292.0±15.0 °C at 760 mmHg
Molecular Formula C10H11NO3 Melting Point 53-59 °C
MSDS N/A Flash Point 130.4±20.4 °C

 Names

Name ethyl 3-oxo-3-pyridin-4-ylpropanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 292.0±15.0 °C at 760 mmHg
Melting Point 53-59 °C
Molecular Formula C10H11NO3
Molecular Weight 193.199
Flash Point 130.4±20.4 °C
Exact Mass 193.073898
PSA 56.26000
LogP 0.44
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.511

 MSDS

Name: Ethyl Isonicotinoylacetate Material Safety Data Sheet
Synonym: None
CAS: 26377-17-3
Section 1 - Chemical Product MSDS Name:Ethyl Isonicotinoylacetate Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
26377-17-3 Ethylisonicotinoyl Acetate 100 % 247-635-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. Ingestion of large amounts may cause gastrointestinal irritation. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid if cough or other symptoms appear.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 26377-17-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Negligible.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 56 - 59 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 193.20

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
High temperatures, incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 26377-17-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethylisonicotinoyl Acetate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 26377-17-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 26377-17-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 26377-17-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi
Safety Phrases S24/25
HS Code 2933399090

 Synthetic Route

~86%

Ethyl 3-oxo-3-(pyridin-4-yl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:26377-17-3

Literature: Venkat Ragavan; Vijayakumar; Rajesh; Palakshi Reddy; Karthikeyan; Suchetha Kumari Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 12 p. 4193 - 4197

~42%

Ethyl 3-oxo-3-(pyridin-4-yl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:26377-17-3

Literature: BAYER AKTIENGESELLSCHAFT Patent: WO2003/106450 A1, 2003 ; Location in patent: Page column 39,40 ; WO 03/106450 A1

~25%

Ethyl 3-oxo-3-(pyridin-4-yl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:26377-17-3

Literature: Alam, Muzaffar; Du Bois, Daisy Joe; Hawley, Ronald Charles; Kennedy-Smith, Joshua; Minatti, Ana Elena; Palmer, Wylie Solang; Silva, Tania; Wilhelm, Robert Stephen Patent: US2011/71150 A1, 2011 ; Location in patent: Page/Page column 27 ;

~%

Ethyl 3-oxo-3-(pyridin-4-yl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:26377-17-3

Literature: GLAXO GROUP LIMITED; JOHNS, Brian Alvin; SHOTWELL, John Brad Patent: WO2012/67664 A1, 2012 ; Location in patent: Page/Page column 31 ;

~74%

Ethyl 3-oxo-3-(pyridin-4-yl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:26377-17-3

Literature: SANOFI-SYNTHELABO; Mitsubishi-Tokyo Pharmaceuticals, Inc. Patent: EP1136483 A1, 2001 ; EP 1136483 A1

~91%

Ethyl 3-oxo-3-(pyridin-4-yl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:26377-17-3

Literature: Carabateas; Brundage; Gelotte; et al. Journal of Heterocyclic Chemistry, 1984 , vol. 21, # 6 p. 1849 - 1856

~41%

Ethyl 3-oxo-3-(pyridin-4-yl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:26377-17-3

Literature: BAYER HEALTHCARE AG Patent: WO2004/39796 A1, 2004 ; Location in patent: Page/Page column 73-74 ; WO 2004/039796 A1

~%

Ethyl 3-oxo-3-(pyridin-4-yl)propanoate Structure

Ethyl 3-oxo-3-(...

CAS#:26377-17-3

Literature: Sugasawa; Tomisawa Pharmaceutical Bulletin, 1955 , vol. 3, p. 32

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

Ethyl 3-oxo-3-(4-pyridinyl)propanoate
Ethyl isonicotinylacetate
4-Pyridinepropanoicacid
ETHYL 3-OXO-3-(4-PYRIDYL)PROPIONATE
ethyl-4-pyridoyl acetate
4-Pyridinepropanoic acid, β-oxo-, ethyl ester
EINECS 247-635-1
Ethyl Isonicotinoylacetate
MFCD00094021
Ethyl 3-oxo-3-(pyridin-4-yl)propanoate