1,4-Dibenzoylbutane 1,6-二苯基-1,6-己二酮
CAS 3375-38-0 MFCD00004761
化学结构图
SMILES: O=C(CCCCC(=O)c1ccccc1)c1ccccc1
化学属性
| Mol. Formula | C18H18O2 |
|---|---|
| Mol. Weight | 266.33 |
| Melting Point | 106-108 °C |
| Appearance | 白色晶体，熔点106-107℃。 |
别名和识别编码
| Chemical Name | 1,6-Diphenylhexane-1,6-Dione |
|---|---|
| CAS Number | 3375-38-0 |
| Alfabeta Name | DIBENZOYLBUTANE 14-, |
| MDL Number | MFCD00004761 |
| Synonym | 1,6-Diphenylhexane-1,6-dione {LY} 1,6-Diphenylhexane-1,6-dione {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {} {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {} {} {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {} {} {} {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {} {} {} {} {} {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,6-Diphenylhexane-1,6-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} |
| PubChem Substance ID | 76903 |
| EC Number | 222-166-5 |
| Reaxys-RN | 1977248 |
| Beilstein Registry Number | 7,777 |
| Chemical Name Translation | 1,6-二苯基-1,6-己二酮 |
| InChIKey | VRBLNWVVFVBNRK-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00119138 |
| InChI | InChI=1S/C18H18O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2 |
| Canonical SMILES | C1=CC=C(C=C1)C(=O)CCCCC(=O)C2=CC=CC=C2 |
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分类
- Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- {SNA} Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
相关文献及参考
- Beil. 7 ,777
- FT-IR 1 (2), 12:C / FT-IR 2 (2), 2447:B / FT-NMR 1 (2), 879:C / IR-Spectra (2), 749:C / IR-Spectra (3), 856:A / NMR-Reference 2 (2), 13:A / Structure Index 1 , 263:C:1 / Vapor Phase 3 , 1234:A
安全信息
其他信息
- 图谱信息:1,4-二苯甲酰丁烷(3375-38-0)红外图谱(IR1) 1,4-二苯甲酰丁烷(3375-38-0)核磁图( 1 HNMR) 1,4-二苯甲酰丁烷(3375-38-0)红外图谱(IR2) 1,4-二苯甲酰丁烷(3375-38-0)质谱(MS) 1,4-二苯甲酰丁烷(3375-38-0)核磁图( 13 CNMR)
- 上游原料:三氯化铝 --> 己二酰氯
- 用途一:有机合成中间体。
- TCI Shanghai:1,6-二苯基-1,6-己二酮 1,6-Diphenyl-1,6-hexanedione(3375-38-0)
- 1,4-二苯甲酰丁烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D2773 1,6-二苯基-1,6-己二酮 1,6-Diphenyl-1,6-hexanedione 5G 1310元 2014/06/02 D2773 1,6-二苯基-1,6-己二酮 1,6-Diphenyl-1,6-hexanedione 25G 4210元
- MOL 文件:3375-38-0.mol
- 方法一:在干燥新蒸的苯中，加入无水三氯化铝，快速搅拌，滴加己二酰氯，加料时需用冰浴冷却，加料毕在室温搅拌反应2h。然后将反应液倾入碎冰和浓盐酸的混合物中，使三氯化铝分解完全。分出苯层，碱洗，水洗，蒸除苯，得到的粗品用乙醇重结晶，得1,4-二苯甲酰丁烷。产率75-81%。
