(3S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid
(3S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid structure
|
Common Name | (3S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 106973-37-9 | Molecular Weight | 235.23600 | |
| Density | 1.339 g/cm3 | Boiling Point | 506.8ºC at 760 mmHg | |
| Molecular Formula | C12H13NO4 | Melting Point | 179-180 ºC (isopropanol ) | |
| MSDS | USA | Flash Point | 260.3ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.339 g/cm3 |
|---|---|
| Boiling Point | 506.8ºC at 760 mmHg |
| Melting Point | 179-180 ºC (isopropanol ) |
| Molecular Formula | C12H13NO4 |
| Molecular Weight | 235.23600 |
| Flash Point | 260.3ºC |
| Exact Mass | 235.08400 |
| PSA | 66.84000 |
| LogP | 0.43650 |
| InChIKey | LAHROJZLGLNLBT-JTQLQIEISA-N |
| SMILES | O=C(O)C1COCC(=O)N1Cc1ccccc1 |
| Storage condition | 2-8°C |
| Water Solubility | Slightly soluble (4.5 g/L) (25 ºC) |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~84%
(3S)-4-Benzyl-5... CAS#:106973-37-9 |
| Literature: BRISTOL-MYERS SQUIBB COMPANY Patent: WO2005/58245 A2, 2005 ; Location in patent: Page/Page column 29-30 ; WO 2005/058245 A2 |
|
~%
(3S)-4-Benzyl-5... CAS#:106973-37-9 |
| Literature: Gavai, Ashvinikumar V.; Fink, Brian E.; Fairfax, David J.; Martin, Gregory S.; Rossiter, Lana M.; Holst, Christian L.; Kim, Soong-Hoon; Leavitt, Kenneth J.; Mastalerz, Harold; Han, Wen-Ching; Norris, Derek; Goyal, Bindu; Swaminathan, Shankar; Patel, Bharat; Mathur, Arvind; Vyas, Dolatrai M.; Tokarski, John S.; Chiang, Yu; Oppenheimer, Simone; Hongjian, Zhang; Marathe, Punit; Fargnoli, Joseph; Lee, Francis Y.; Wong, Tai W.; Vite, Gregory D. Journal of Medicinal Chemistry, 2009 , vol. 52, # 21 p. 6527 - 6530 |
|
~%
(3S)-4-Benzyl-5... CAS#:106973-37-9 |
| Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 2577 - 2580 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 2 | |
CAS#:101376-26-5
CAS#:917572-28-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (3S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid? |
| A: Boiling point of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid is 506.8ºC at 760 mmHg. |
| Q: What are the upstream materials of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid? |
| A: Related upstream materials(CAS) of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid: 106910-76-3;79-04-9;56-45-1;100-52-7. |
| Q: What is the melting point of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid? |
| A: Melting point of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid is 179-180 ºC (isopropanol ). |
| Q: What is the CAS number of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid? |
| A: CAS number of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid is 106973-37-9. |
| Q: What is the English name of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid? |
| A: The English name of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid is (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid. |
| Q: How is the water solubility of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid? |
| A: Water solubility of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid: Slightly soluble (4.5 g/L) (25 ºC). |
| Q: What is the InChIKey of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid? |
| A: InChIKey of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid is LAHROJZLGLNLBT-JTQLQIEISA-N. |
| Q: What is the molecular formula of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid? |
| A: Molecular formula of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid is C12H13NO4. |
| Q: What English synonyms does (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid have? |
| A: English synonyms of (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid: (3S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid. |
| Q: What are the storage conditions for (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid? |
| A: Storage conditions for (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid: 2-8°C. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |