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(-)-文斯内酯 | 79200-56-9

(-)-文斯内酯
(1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one
79200-56-9
C6H7NO
109.125881433487
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:(-)-文斯内酯结构式
24867649
(-)-文斯内酯价格
名称和标识符
MDL MFCD00211274
InChIKey DDUFYKNOXPZZIW-UHNVWZDZSA-N
Inchi 1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m1/s1
SMILES O=C1N[C@H]2C=C[C@@H]1C2
别名信息
- 中文别名 -
  • (-)-文斯内酯
  • (1R,4S)-2-氮杂二环[2.2.1]庚-5-烯-3-酮
  • (+)-文斯内酯
  • (1R)-(-)-2-氮杂双环[2.2.1]庚-5-烯-3-酮
  • (1R,4S)-2-氮杂双环[2.2.1]庚-5-烯-3-酮
  • 1R,4S-2-氮杂二环[2.2.1]庚-5-蒽-3-酮
  • 文斯内酯
  • ((1R,4S)-2-氮杂二环[2.2.1]庚-5-烯-3-酮
  • (-)-2-氮杂双环[2.2.1]庚-5-蒽-3-酮
  • (1R)-(-)-2-杂氮二环[2.2.1]庚烷-5-EN-3-酮
  • (-)-文斯内酰胺
- 英文别名 -
  • (-)-(1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one
  • (-)-Vince lactam
  • (1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one
  • ((1R,4S)-2-Aza-bicyclo[2.2.1]hept-5-en-3-one
  • (-)-2-AZABICYCLO-[2.2.1]HEPT-5-EN-3-ONE
  • (1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one
  • (1R,4S)-2-Aza-bicyclo[2.2.1]hept-5-en-3-one
  • ((1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one
  • (1S,4R)-3-azabicyclo[2.2.1]hept-5-en-2-one
  • (-)-2-Azabicyclo[2.2.1]Hept-5-EN-3-One
  • 2-Azabicyclo[2,2,1]hept-5-en-3-one
  • 2-Azabicyclo[2.2.1]hept-5-en-3-one, (1R,4S)-
  • (1~{s},4~{r})-3-Azabicyclo[2.2.1]hept-5-En-2-One
  • A
  • (1R,4S)-2-azabicyclo[2.2.1]hept-5-en-3-one
  • MFCD00211274
  • NS00077703
  • GS-4091
  • (+/-)-2-Azabicyclo(2.2.1)hept-5-en-3-one
  • (1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one, >=98%
  • (4R)-3-azabicyclo[2.2.1]hept-5-en-2-one
  • (1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one
  • rac-(1R,4S)-2-azabicyclo[2.2.1]hept-5-en-3-one
  • 4-Amino-2-cyclopentene-1-carboxylic acid lactam
  • EN300-6744251
  • A839614
  • AC-6113
  • AM20080220
  • (1R,4S)-2-Azabicyclo(2.2.1)hept-5-en-3-one
  • AKOS006346791
  • (+/-)-2-Azabicyclo[2.2.1]hept-5-en-3-one
  • 66Z
  • (-)-Vince Lactam
  • MFCD00213364
  • AKOS016016507
  • (1R, 4S)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one
  • SCHEMBL419989
  • (1S)-(+)-2-Azabicyclo[2.2.1]hept-5-en-3-one
  • DTXSID10369337
  • CS-W009267
  • 79200-56-9
  • DDUFYKNOXPZZIW-UHNVWZDZSA-N
  • (1R,4S)-3-Oxo-2-azabicyclo[2.2.1]hept-5-ene
  • (1R, 4S)-2-azabicyclo[2.2.1]hept-5-en-3-one
  • EC 418-530-1
  • (1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one (ACI)
  • 2-Azabicyclo[2.2.1]hept-5-en-3-one, (1R)- (ZCI)
  • (-)-2-Azabicyclo[2.2.1]hept-5-en-3-one
  • (1R,4S)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one
物化性质
实验特性
LogP 0.38970
PSA 29.10000
折射率 1.545
沸点 319.3 °C at 760 mmHg
熔点 94-97 °C (lit.)
闪点 167.1℃
颜色与性状 无可用
溶解性 无可用
光学活性 [α]20/D −565°, c = 1 in chloroform
密度 1.198
计算特性
精确分子量 109.05300
氢键供体数量 1
氢键受体数量 1
可旋转化学键数量 0
同位素质量 109.053
重原子数量 8
复杂度 162
同位素原子数量 0
确定原子立构中心数量 2
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 0.1
表面电荷 0
拓扑分子极性表面积 29.1
国际标准相关数据
EINECS 418-530-1
海关数据
海关编码 2933790090
海关数据

中国海关编码:

2933790090

概述:

2933790090 其他内酰胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:9.0% 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Lipase-catalyzed resolution of 2-azabicyclo[2.2.1]hept-5-en-3-ones
Nakano, Hiroto; Iwasa, Kazuto; Okuyama, Yuko; Hongo, Hiroshi, Tetrahedron: Asymmetry, 1996, 7(8), 2381-2386

合成路线:1 步

反应条件:
参考文献:
Synthesis of rigid bicycloheterocyclic scaffolds from vince's lactam (enzymatic resolution of vince's lactam)
Gurjar, Mukund K.; Bera, Smritilekha; Joshi, Rohini R.; Joshi, Ramesh A., Heterocycles, 2003, 60(10), 2293-2303

合成路线:1 步

反应条件:
参考文献:
A New Class of Conformationally Rigid Analogs of 4-Amino-5-halopentanoic Acids, Potent Inactivators of γ-Aminobutyric Acid Aminotransferase
Qiu, Jian; Silverman, Richard B., Journal of Medicinal Chemistry, 2000, 43(4), 706-720

合成路线:1 步

反应条件:
参考文献:
Chemoenzymic synthesis of (-)-carbovir utilizing a whole cell catalyzed resolution of 2-azabicyclo[2.2.1]hept-5-en-3-one
Taylor, Steven J. C.; Sutherland, Alan G.; Lee, Carol; Wisdom, Richard; Thomas, Steve; et al, Journal of the Chemical Society, 1990, (16), 1120-1

合成路线:1 步

参考文献:
Stereo- and regiocontrolled synthesis of highly functionalized cyclopentanes with multiple chiral centers
Nonn, Melinda; Binder, Adrienn; Volk, Balazs; Kiss, Lorand, Synthetic Communications, 2020, 50(8), 1199-1209

合成路线:1 步

反应条件:
参考文献:
Synthesis and fungistatic activity of bicyclic lactones and lactams against Botrytis cinerea, Penicillium citrinum, and Aspergillus glaucus
Walczak, Paulina; Pannek, Jakub; Boratynski, Filip; Janik-Polanowicz, Agata; Olejniczak, Teresa, Journal of Agricultural and Food Chemistry, 2014, 62(34), 8571-8578

合成路线:1 步

反应条件:
参考文献:
Novel screening methods-the key to cloning commercially successful biocatalysts
Taylor, Stephen J. C.; Brown, Rob C.; Keene, Phil A.; Taylor, Ian N., Bioorganic & Medicinal Chemistry, 1999, 7(10), 2163-2168

合成路线:1 步

反应条件:
参考文献:
p-Toluenesulfonyl Cyanide
Griffiths, Gareth J., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, ,

合成路线:1 步

反应条件:
参考文献:
Syntheses of nucleosides and related compounds. XL. Hetero Diels-Alder reaction of benzenesulfonyl cyanide with cyclopentadiene using chiral Lewis acids
Katagiri, Nobuya; Makino, Masashi; Tamura, Takahiro; Kaneko, Chikara, Chemical & Pharmaceutical Bulletin, 1996, 44(4), 850-2
相关文献
专业数据库参考
PubChemId 24867649
参考资料
Beilstein 4230721
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