L-tert-Leucine
LEUCINE · LEU · H-LEU-OH · Tle · H-L-LEU-OH · L-tertiary leucine · L-Tle-OH · FEMA 3297
식별자 및 물리적 특성
| CAS No. | 20859-02-3 |
|---|---|
| 분자식 | C6H13NO2 |
| 평균 분자량 | 131.17 g/mol |
| 단동위원소 질량 | 131.09462866 g/mol |
| SMILES | CC(C)(C)[C@H](N)C(=O)O |
| InChIKey | NPDBDJFLKKQMCM-SCSAIBSYSA-N |
| PubChem CID | 164608 |
| EC No. | 424-750-7 |
| DTXSID | DTXSID001017204 |
화학 및 물리적 성질
| XLogP | -1.8 |
|---|---|
| 극성 표면적 | 63.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 115 |
| 녹는점 | ≥300 °C (lit.) |
| 끓는 점 | 217.7±23.0 °C(Predicted) |
| 밀도 | 1.1720 (estimate) |
| 굴절률 | -9 ° (C=3, H2O) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 1M HCl: 50mg/mL |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 2.39±0.12(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 125.5g/L(20℃) |
| BRN | 1721824 |
| 주요 응용 | 펩타이드 합성 |
| InChI | 1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1 |
| InChIKey | NPDBDJFLKKQMCM-SCSAIBSYSA-N |
| SMILES | CC(C)(C)[C@H](N)C(O)=O |
화학적 성질
White to almost white powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.Not ClassifiedAggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Status: Active Update: 22-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32457L-Valine, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | OH2850000 |
| 관세 코드 | 29224999 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
L-tert-Leucine is an essential amino acid and makes up one third of our muscle protein. It can be used as a food additive. It is used in the formation of sterols. It is used in the production of cobalt oxazoline palladacycles complex, which acts as a catalyst in the rearrangement of prochiral N-aryl trifluoroacetimidates to allylic amides yielded in significantly higher enantioselectivities with the (S)-(pR)-diasteroisomer.
일반 설명
L-tert-Leucine (L-Tle) is an essential non-natural amino acid often used as a template to induce asymmetric synthesis, and the product has high stereoselectivity. It is a non-polar amino acid, and its tert-butyl group has significant hydrophobicity and steric hindrance, which can control molecular conformation in a chemical reaction and form a chiral compound. Hence, L-tert-leucine is commonly used as an inducer or a template in asymmetric synthesis. As a vital chiral intermediate, L-tert-leucine is widely used to synthesise anti-cancer, anti-viral, and biological inhibitors. In addition, L-tert-leucine is an essential additive in the food and cosmetic industry[1].