(S,S)-Taddol
((4S,5S) · 97.0%(LC) · (+)-TADDOL · (S,S)-taddol · SEEBACH REAGENT · bis(diphenylmethanol) · (4S,5S)-2,2-Dimethyl-α · (+)-4,5-Bis[hydroxy(diphenyL
식별자 및 물리적 특성
| CAS No. | 93379-49-8 |
|---|---|
| 분자식 | C31H30O4 |
| 평균 분자량 | 466.6 g/mol |
| 단동위원소 질량 | 466.21440944 g/mol |
| SMILES | CC1(C)O[C@H](C(O)(c2ccccc2)c2ccccc2)[C@@H](C(O)(c2ccccc2)c2ccccc2)O1 |
| InChIKey | OWVIRVJQDVCGQX-NSOVKSMOSA-N |
| PubChem CID | 9852051 |
| DTXSID | DTXSID701317964 |
화학 및 물리적 성질
| XLogP | 5.2 |
|---|---|
| 극성 표면적 | 58.9 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 35 |
| 형식 전하 | 0 |
| 복잡도 | 573 |
| 녹는점 | 193-196 °C(lit.) |
| 끓는 점 | 633.2±50.0 °C(Predicted) |
| 밀도 | 1.200±0.06 g/cm3(Predicted) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 12.28±0.29(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| BRN | 4724097 |
| InChIKey | RNSJHECWLNVNFE-LOYHVIPDSA-N |
| SMILES | C(O)(C1C=CC=CC=1)(C1C=CC=CC=1)[C@H]1OC(C)(C)O[C@@H]1C(O)(C1C=CC=CC=1)C1C=CC=CC=1 |&1:14,20,r| |
화학적 성질
white to light yellow crystal powde
안전 및 규제
| 규제 정보 | 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-.alpha.,.alpha.,.alpha.',.alpha.'-tetraphenyl-, (4S,5S)-: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29329990 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Ligand for enantioselective Lewis-acid mediated Diels-Alder, allyltitanation of aldehydes, and Michael-Mukaiyama additions promoted by chiral Ti-complexes.
제조 및 합성 방법
제조 방법
Preparative Methods of (4R,5R)-2,2-Dimethyl-4,5-bis(hydroxydiphenylmethyl)-1,3-dioxolane: chiral titanates are usually prepared by mixing dichlorodiisopropoxytitanium and a chiral 1,4-diol in toluene. Other solvents such as ether and dichloromethane can also be employed. The alcohol exchange reaction takes place immediately at rt. Wherever necessary, liberated isopropyl alcohol is removed by azeotropic removal with toluene. The chiral 1,4-diols are prepared from dimethyl (or diethyl) tartrate by a two-step procedure comprising acetalization followed by the addition of an aryl Grignard reagent.