1-Benzyl-2-oxopyrrolidine-4-carboxylic acid

Modify Date: 2024-01-09 18:54:08

1-Benzyl-2-oxopyrrolidine-4-carboxylic acid Structure
1-Benzyl-2-oxopyrrolidine-4-carboxylic acid structure
Common Name 1-Benzyl-2-oxopyrrolidine-4-carboxylic acid
CAS Number 5733-86-8 Molecular Weight 219.236
Density 1.3±0.1 g/cm3 Boiling Point 471.3±45.0 °C at 760 mmHg
Molecular Formula C12H13NO3 Melting Point 144 °C
MSDS N/A Flash Point 238.8±28.7 °C

 Names

Name 1-Benzyl-5-oxo-3-pyrrolidinecarboxylic Acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 471.3±45.0 °C at 760 mmHg
Melting Point 144 °C
Molecular Formula C12H13NO3
Molecular Weight 219.236
Flash Point 238.8±28.7 °C
Exact Mass 219.089539
PSA 57.61000
LogP 0.64
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.604

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
Synonyms:1-Benzyl-2-pyrrolidinone-4-carboxylic acid

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid
CAS number:5733-86-8

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.
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
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C12H13NO3
Molecular weight:219.2

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

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

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY0686500
CHEMICAL NAME :
3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)-
CAS REGISTRY NUMBER :
5733-86-8
BEILSTEIN REFERENCE NO. :
0189394
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H13-N-O3
MOLECULAR WEIGHT :
219.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 26,75,1974

 Safety Information

Hazard Codes Xi
HS Code 2933790090

 Synthetic Route

~94%

1-Benzyl-2-oxopyrrolidine-4-carboxylic acid Structure

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CAS#:5733-86-8

Literature: Sumitomo Pharmaceuticals Company, Limited Patent: EP1403255 A1, 2004 ; Location in patent: Page 78 ; EP 1403255 A1

~99%

1-Benzyl-2-oxopyrrolidine-4-carboxylic acid Structure

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CAS#:5733-86-8

Literature: Gallagher, Timothy; Derrick, Ian; Durkin, Patrick M.; Haseler, Claire A.; Hirschhaeuser, Christoph; Magrone, Pietro Journal of Organic Chemistry, 2010 , vol. 75, # 11 p. 3766 - 3774

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1-Benzyl-2-oxopyrrolidine-4-carboxylic acid Structure

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CAS#:5733-86-8

Literature: US6436954 B1, ;

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1-Benzyl-2-oxopyrrolidine-4-carboxylic acid Structure

1-Benzyl-2-oxop...

CAS#:5733-86-8

Literature: European Journal of Organic Chemistry, , # 4 p. 673 - 682

~%

1-Benzyl-2-oxopyrrolidine-4-carboxylic acid Structure

1-Benzyl-2-oxop...

CAS#:5733-86-8

Literature: European Journal of Organic Chemistry, , # 4 p. 673 - 682

 Customs

HS Code 2933790090
Summary 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

 Synonyms

1-benzyl-5-oxopyrrolidine-3-carboxylic acid
1-Benzyl-5-oxo-3-pyrrolidinecarboxylic acid
3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)-
1-Benzyl-2-oxopyrrolidine-4-carboxylic acid
MFCD00085749
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