CAS Number5733-86-8
Synonyms1-benzyl-5-oxopyrrolidine-3-carboxylic acid; 1-Benzyl-5-oxo-3-pyrrolidinecarboxylic acid; 1-Benzyl-2-oxopyrrolidine-4-carboxylic acid; MFCD00085749
Molecular FormulaC12H13O3N1
Molecular Weight219.24
Purity98.00%
Density1.3±0.1 g/cm3
Boiling Point471.3±45.0 °C at 760 mmHg
Melting Point144 °C
AppearanceSolid;White to Almost white powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5733-86-8 |
| Catalog No. | 2A-9032114 |
| Chinese Name | 1-苄基-5-氧代-3-吡咯烷甲酸 |
| Synonyms | 1-benzyl-5-oxopyrrolidine-3-carboxylic acid; 1-Benzyl-5-oxo-3-pyrrolidinecarboxylic acid; 1-Benzyl-2-oxopyrrolidine-4-carboxylic acid; MFCD00085749 |
| Molecular Formula | C12H13O3N1 |
| Molecular Weight | 219.24 |
| Purity | 98.00 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 471.3±45.0 °C at 760 mmHg |
| Melting Point | 144 °C |
| Appearance | Solid;White to Almost white powder to crystal |
| Storage Condition | room temperature, dry |
| HTC | 2933790090 |
| MDL Number | MFCD00085749 |
| SMILES | O=C(O)C1CC(=O)N(Cc2ccccc2)C1 |
| InChI | InChI=1S/C12H13NO3/c14-11-6-10(12(15)16)8-13(11)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16) |
| InChI Key | VYKQDWPBYULGPF-UHFFFAOYSA-N |
| MSDS | msds/32114_1_5733_86_8.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. 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: Flash point: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 Section12. Ecological information 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 Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C12-H13-N-O3 MOLECULAR WEIGHT : 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 : 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 Methyl 1-benzyl... CAS#:51535-00-3 1-Benzyl-2-oxop... CAS#:5733-86-8 Literature: Sumitomo Pharmaceuticals Company, Limited Patent: EP1403255 A1, 2004 ; Location in patent: Page 78 ; EP 1403255 A1 Itaconic acid CAS#:97-65-4 Benzylamine CAS#:100-46-9 1-Benzyl-2-oxop... 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 Isopropyl n-ben... CAS#:256451-31-7 1-Benzyl-2-oxop... CAS#:5733-86-8 Literature: US6436954 B1, ; |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 9.0% Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0% |
| Related Products in Heterocyclic Building Blocks | ||
|---|---|---|
| 2-Methyl-6-nitrobenzoxazole | 5683-43-2 | 2A-9032070 |
| 2-Mercaptothiazole | 5685-05-2 | 2A-9032071 |
| 4-Methylthiazole-2(3H)-thione | 5685-06-3 | 2A-9032072 |
| 1-Benzyl-3-pyrrolidinemethanol | 5731-17-9 | 2A-9032111 |
| N-Benzyl-3-pyrrolidinecarboxylic acid | 5731-18-0 | 2A-9032113 |
| Ethyl 1-benzyl-5-oxopyrrolidine-3-carboxylate | 5733-87-9 | 2A-9032115 |
| 2-Amino-4-chloro-6-ethylpyrimidine | 5734-67-8 | 2A-9032118 |
| Benzomorpholine | 5735-53-5 | 2A-9032120 |
| 2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde | 5736-03-8 | 2A-9032121 |
| 1H-Imidazole-1-ethanamine | 5739-10-6 | 2A-9032122 |
| Browse all Heterocyclic Building Blocks products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS