CAS Number99281-90-0
SynonymsBenzeneacetic acid, α-[(S)-aminocyanomethyl]-, 1,1-dimethylethyl ester; (S)-N-Boc-phenylalaninenitrile; N-tert-butyloxycarbonyl phenylalanine nitrile; Carbamic acid, N-[(1S)-1-cyano-2-phenylethyl]-, 1,1-dimethylethyl ester; tert-Butyl [(1S)-1-cyano-2-phenylethyl]carbamate; (S)-tert-butyl 1-cyano-2-phenylethylcarbamate; 2-Methyl-2-propanyl (3S)-3-amino-3-cyano-2-phenylpropanoate; 2-Methyl-2-propanyl [(1S)-1-cyano-2-phenylethyl]carbamate; (S)-2-(tert-butoxycarbonylamino)-3-phenylpropanenitrile
Molecular FormulaC14H18N2O2
Molecular Weight246.305
Purity98.00%
Density1.1±0.1 g/cm3
Boiling Point392.7±42.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 99281-90-0 |
| Catalog No. | 2A-9049597 |
| Chinese Name | (S)-1-氰基-2-苯基乙基氨基甲酸叔丁酯 |
| Synonyms | Benzeneacetic acid, α-[(S)-aminocyanomethyl]-, 1,1-dimethylethyl ester; (S)-N-Boc-phenylalaninenitrile; N-tert-butyloxycarbonyl phenylalanine nitrile; Carbamic acid, N-[(1S)-1-cyano-2-phenylethyl]-, 1,1-dimethylethyl ester; tert-Butyl [(1S)-1-cyano-2-phenylethyl]carbamate; (S)-tert-butyl 1-cyano-2-phenylethylcarbamate; 2-Methyl-2-propanyl (3S)-3-amino-3-cyano-2-phenylpropanoate; 2-Methyl-2-propanyl [(1S)-1-cyano-2-phenylethyl]carbamate; (S)-2-(tert-butoxycarbonylamino)-3-phenylpropanenitrile |
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.305 |
| Purity | 98.00 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 392.7±42.0 °C at 760 mmHg |
| HTC | 2926909090 |
| PubChem ID | 3182257 |
| SMILES | CC(C)(C)OC(=O)NC(C#N)Cc1ccccc1 |
| InChI | InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-12(10-15)9-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3,(H,16,17)/t12-/m0/s1 |
| InChI Key | PMCZSKSPRUQIOF-LBPRGKRZSA-N |
| MSDS | msds/49597_1_99281_90_0.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:C14H18N2O2 Molecular weight:246.3 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 2926909090 Synthetic Route (1-carbamoyl-2-... CAS#:88463-18-7 (S)-N-Boc-pheny... CAS#:99281-90-0 Literature: Thompson, Stewart A.; Andrews, Peter R.; Hanzlik, Robert P. Journal of Medicinal Chemistry, 1986 , vol. 29, # 1 p. 104 - 111 N-Boc-L-phenyla... CAS#:72155-45-4 (S)-N-Boc-pheny... CAS#:99281-90-0 Literature: Zhu, Jia-Liang; Lee, Fa-Yen; Wu, Jen-Dar; Kuo, Chun-Wei; Shia, Kak-Shan Synlett, 2007 , # 8 p. 1317 - 1319 [1-(4-methylben... CAS#:914955-62-7 Acetone cyanohydrin CAS#:75-86-5 (S)-N-Boc-pheny... CAS#:99281-90-0 tert-butyl [(1r... CAS#:400652-45-1 Literature: Journal of Organic Chemistry, , vol. 71, # 26 p. 9869 - 9872 Precursor & DownStream Precursor 5 CAS#:72155-45-4 N-Boc-L-phenyla... CAS#:75-86-5 Acetone cyanohydrin CAS#:13734-34-4 Boc-L-phenylalanine CAS#:63-91-2 L-Phenylalanine DownStream 2 CAS#:146552-72-9 (S)-tert-Butyl ... CAS#:73148-70-6 (2S)-2-amino-3-... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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