![(2S)-2-[(tert-Butoxycarbonyl)amino]-3-(3,4-dimethoxyphenyl)propionicacid structure, CAS 127095-97-0](/structures/80000/72382_2_127095_97_0.png)
CAS Number127095-97-0
Synonyms(S)-2-tert-butoxycarbonylamino-3-(3,4-dimethoxyphenyl)propionic acid; (S)-N-(1,1-dimethylethoxy)carbonyl-3,4-dimethoxy-L-phenylalanine; boc-phe(3,4-dimethoxy)-oh; boc-l-3,4-dimethoxyphenylalanine; (s)-boc-3,4-dimethoxyphenylalanine; N-Boc-3,4-dimethoxy-L-phenylalanine; N-[(1,1-Dimethylethoxy)Carbonyl]-3-Methoxy-O-Methyl-L-Tyrosine; (-)-(S)-N-Boc-3-(3,4-dimethoxyphenyl)alanine; N-(tert-butoxycarbonyl)-3-methoxy-O-methyl-L-tyrosine; boc-3,4-dimethoxy-l-phenylalanine; (2S)-2-[(tert-butoxycarbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid; n-boc-(s)-3,4-dimethoxyphenylalanine
Molecular FormulaC16H23NO6
Molecular Weight311.33
Density1.176g/cm3
Boiling Point482.7ºC at 760mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 127095-97-0 |
| Catalog No. | 2A-9072382 |
| Chinese Name | N-Boc-3,4-二甲氧基-L-苯丙氨酸 |
| Synonyms | (S)-2-tert-butoxycarbonylamino-3-(3,4-dimethoxyphenyl)propionic acid; (S)-N-(1,1-dimethylethoxy)carbonyl-3,4-dimethoxy-L-phenylalanine; boc-phe(3,4-dimethoxy)-oh; boc-l-3,4-dimethoxyphenylalanine; (s)-boc-3,4-dimethoxyphenylalanine; N-Boc-3,4-dimethoxy-L-phenylalanine; N-[(1,1-Dimethylethoxy)Carbonyl]-3-Methoxy-O-Methyl-L-Tyrosine; (-)-(S)-N-Boc-3-(3,4-dimethoxyphenyl)alanine; N-(tert-butoxycarbonyl)-3-methoxy-O-methyl-L-tyrosine; boc-3,4-dimethoxy-l-phenylalanine; (2S)-2-[(tert-butoxycarbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid; n-boc-(s)-3,4-dimethoxyphenylalanine |
| Molecular Formula | C16H23NO6 |
| Molecular Weight | 311.33 |
| Density | 1.176g/cm3 |
| Boiling Point | 482.7ºC at 760mmHg |
| Storage Condition | Store at 0°C |
| HTC | 2924299090 |
| PubChem ID | 15871043 |
| SMILES | COc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc1OC |
| InChI | InChI=1S/C16H23NO6/c1-16(2,3)23-15(20)17-11(14(18)19)8-10-6-7-12(21-4)13(9-10)22-5/h6-7,9,11H,8H2,1-5H3,(H,17,20)(H,18,19)/t11-/m0/s1 |
| InChI Key | ADWMFTMMXMHMHB-NSHDSACASA-N |
| 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:C16H23NO6 Molecular weight:325.4 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 Safety Information HS Code 2924299090 Synthetic Route Total: 1 Page (S)-(+)-2-tert-... CAS#:138908-56-2 boc-3,4-dimetho... CAS#:127095-97-0 Literature: Tetrahedron Letters, , vol. 44, # 37 p. 7091 - 7094 Di-tert-butyl d... CAS#:24424-99-5 (S)-2-Amino-3-(... CAS#:32161-30-1 boc-3,4-dimetho... CAS#:127095-97-0 Literature: Tetrahedron Letters, , vol. 42, # 8 p. 1511 - 1513 Precursor & DownStream Precursor 3 CAS#:138908-56-2 (S)-(+)-2-tert-... CAS#:24424-99-5 Di-tert-butyl d... CAS#:32161-30-1 (S)-2-Amino-3-(... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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