CAS Number16652-75-8
SynonymsEINECS 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
Molecular FormulaC20H27O5N1S1
Molecular Weight393.5
Purity98.00%
Boiling Point545.1ºC at 760 mmHg
Melting Point153-155 °C
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 16652-75-8 |
| Catalog No. | 2A-9037186 |
| Chinese Name | L-异亮氨酸苄酯对甲苯磺酸盐 |
| Synonyms | 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 |
| Molecular Formula | C20H27O5N1S1 |
| Molecular Weight | 393.5 |
| Purity | 98.00 |
| Boiling Point | 545.1ºC at 760 mmHg |
| Melting Point | 153-155 °C |
| Appearance | solid |
| Storage Condition | Store at RT. |
| HTC | 2923900090 |
| PubChem ID | 87325401 |
| MDL Number | MFCD00050511 |
| SMILES | CCC(C)C(N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1 |
| InChI | InChI=1S/C13H19NO2.C7H8O3S/c1-3-10(2)12(14)13(15)16-9-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,10,12H,3,9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t10-,12-;/m0./s1 |
| InChI Key | XAWVXTVKSVYPNE-JGAZGGJJSA-N |
| MSDS | msds/37186_1_16652_75_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 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 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 Safety Information Hazard Codes Xi HS Code 2923900090 Synthetic Route Total: 1 Page L-Isoleucine CAS#:73-32-5 p-Toluenesulfon... CAS#:104-15-4 Benzyl alcohol CAS#:100-51-6 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 CAS#:42406-72-4 p-Toluenesulfon... CAS#:104-15-4 H-Ile-ObzlTos CAS#:16652-75-8 Literature: Letters in Organic Chemistry, , vol. 7, # 1 p. 39 - 44 Precursor & DownStream Precursor 4 CAS#:73-32-5 L-Isoleucine CAS#:104-15-4 p-Toluenesulfon... CAS#:100-51-6 Benzyl alcohol CAS#:42406-72-4 DownStream 0 |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product Name: 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% |
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