H-Ile-ObzlTos structure
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Common Name | H-Ile-ObzlTos | ||
|---|---|---|---|---|
| CAS Number | 16652-75-8 | Molecular Weight | 393.497 | |
| Density | N/A | Boiling Point | 545.1ºC at 760 mmHg | |
| Molecular Formula | C20H27NO5S | Melting Point | 153-155 °C | |
| MSDS | N/A | Flash Point | 283.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic 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.
| Boiling Point | 545.1ºC at 760 mmHg |
|---|---|
| Melting Point | 153-155 °C |
| Molecular Formula | C20H27NO5S |
| Molecular Weight | 393.497 |
| Flash Point | 283.4ºC |
| Exact Mass | 393.160980 |
| PSA | 115.07000 |
| LogP | 5.12600 |
| Vapour Pressure | 1.03E-12mmHg at 25°C |
| InChIKey | XAWVXTVKSVYPNE-JGAZGGJJSA-N |
| SMILES | CCC(C)C(N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1 |
| Storage condition | Store at RT. |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: H-Ile-OBzl tos Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:H-Ile-OBzl tos CAS number:16652-75-8 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:C13H19NO2.C7H8O3S Molecular weight:393.5 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur 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 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | 22-36/37/38 |
| Safety Phrases | 9-26-36/37 |
| HS Code | 2923900090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~73%
H-Ile-ObzlTos CAS#:16652-75-8 |
| Literature: Damm, Wolfgang; Hoffmann, Ursula; Macko, Ludwig; Neuburger, Markus; Zehnder, Margareta; Giese, Bernd Tetrahedron, 1994 , vol. 50, # 24 p. 7029 - 7048 |
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~%
H-Ile-ObzlTos CAS#:16652-75-8 |
| Literature: Letters in Organic Chemistry, , vol. 7, # 1 p. 39 - 44 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2923900090 |
|---|---|
| Summary | 2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 240-701-0 |
| L-Isoleucin-benzylester-p-toluolsulfonat |
| H-ILE-OBZL P-TOSYLATE |
| L-isoleucine benzyl ester tosylate |
| L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1) |
| TsOH.L-Ile-OBn |
| Benzyl L-isoleucinate 4-methylbenzenesulfonate (1:1) |
| TosOH*Ile-OBzl |
| H-L-Ile-OBzl*Tos |
| MFCD00050511 |
| L-isoleucine benzyl ester p-toluenesulfonate salt |
| H-Ile-Obzl Tos |
| isoleucine benzyl ester toluene-p-sulphonate |
| h-ile-obzl.tos |
| H-Ile-OBzl.TosOH |
| H-Ile-ObzlTos |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid? |
| A: Safety information for benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid: 9-26-36/37. |
| Q: What is the English name of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid? |
| A: The English name of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid. |
| Q: What is the SMILES notation of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid? |
| A: SMILES notation of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is CCC(C)C(N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1. |
| Q: What are the storage conditions for benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid? |
| A: Storage conditions for benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid: Store at RT. |
| Q: What is the LogP of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid? |
| A: LogP of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is 5.12600. |
| Q: What is the boiling point of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid? |
| A: Boiling point of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is 545.1ºC at 760 mmHg. |
| Q: What is the molecular weight of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid? |
| A: Molecular weight of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is 393.497. |
| Q: What are the upstream materials of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid? |
| A: Related upstream materials(CAS) of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid: 73-32-5;104-15-4;100-51-6;42406-72-4. |
| Q: What is the molecular formula of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid? |
| A: Molecular formula of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is C20H27NO5S. |
| Q: What is the polar surface area (PSA) of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid? |
| A: Polar surface area (PSA) of benzyl (2S,3S)-2-amino-3-methylpentanoate,4-methylbenzenesulfonic acid is 115.07000. |
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. |