642002

(3S,5R,8aS)-(+)-六氢-3-苯基-5H-噁唑并[3,2-a]吡啶-5-甲腈

97%

• 别名: (+)-2-氰基-6-苯基噁唑哌啶, [3S-(3α,5β,8aβ)]-六氢-3-苯基-5H-噁唑并[3,2-a]吡啶-5-甲腈
• 经验公式（希尔记法）: C₁₄H₁₆N₂O
• CAS号: 106565-71-3
• 分子量: 228.29
• MDL编号: MFCD08276761
• UNSPSC代码: 12352005
• PubChem化学物质编号: 24883163
• NACRES: NA.22

属性

• 方案: 97%
• 表单: solid
• mp: 79-83 °C (lit.)
• SMILES字符串: [H][C@]12CCC[C@H](C#N)N1[C@H](CO2)c3ccccc3
• InChI: 1S/C14H16N2O/c15-9-12-7-4-8-14-16(12)13(10-17-14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-8,10H2/t12-,13-,14+/m1/s1
• InChI key: GQHMNZGZXHZLEN-MCIONIFRSA-N

说明

应用

(3S,5R,8aS)-(+)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile can be used as a starting material:

• To prepare spirocyclic aminochroman derivatives as possible 5-HT_1A agonists.[1]
• In the asymmetric synthesis of aza-analogs of podophyllotoxin as potent antitumor agents.[2]

安全信息

• 象形图: GHS07
• 警示用语：: Warning
• 危险声明: H302
• 危险分类: Acute Tox. 4 Oral
• 储存分类代码: 13 - Non Combustible Solids
• WGK: WGK 2
• 闪点(°F): Not applicable
• 闪点(°C): Not applicable
• 个人防护装备: dust mask type N95 (US), Eyeshields, Faceshields, Gloves