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3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯

更新时间:2024-01-03 17:28:27

3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯结构式
3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯结构式
委托求购
常用名 3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯 英文名 tricyclodecenyl acetate
CAS号 2500-83-6 分子量 192.25400
密度 1.12 g/cm3 沸点 258.4ºC at 760 mmHg
分子式 C12H16O2 熔点 N/A
MSDS N/A 闪点 101.8ºC

 名称

中文名 3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯
英文名 (1RS,2RS,6RS,7RS,8SR)-tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate
中文别名 醋酸3A,4,5,6,7,7A-六氢化-4,7-亚甲基1H茚-6-醇酯
英文别名 更多

 物理化学性质

密度 1.12 g/cm3
沸点 258.4ºC at 760 mmHg
分子式 C12H16O2
分子量 192.25400
闪点 101.8ºC
精确质量 192.11500
PSA 26.30000
LogP 2.15020
外观性状 透明至琥珀色液体
蒸汽压 0.0137mmHg at 25°C
折射率 1.536
计算化学

1.疏水参数计算参考值(XlogP):2.2

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积:26.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:295

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:5

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

 合成线路

~94%

3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯结构式

3A,4,5,6,7,7A-六...

2500-83-6

文献:Hoelscher, Bernd; Braun, Norbert A.; Weber, Berthold; Kappey, Claus-Hermann; Meier, Manfred; Pickenhagen, Wilhelm Helvetica Chimica Acta, 2004 , vol. 87, # 7 p. 1666 - 1680

~%

3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯结构式

3A,4,5,6,7,7A-六...

2500-83-6

文献:Khusnutdinov; Shchadneva; Mukhametshina Russian Journal of Organic Chemistry, 2010 , vol. 46, # 1 p. 54 - 58

~%

3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯结构式

3A,4,5,6,7,7A-六...

2500-83-6

文献:Hoelscher, Bernd; Braun, Norbert A.; Weber, Berthold; Kappey, Claus-Hermann; Meier, Manfred; Pickenhagen, Wilhelm Helvetica Chimica Acta, 2004 , vol. 87, # 7 p. 1666 - 1680

~%

3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯结构式

3A,4,5,6,7,7A-六...

2500-83-6

文献:Hoelscher, Bernd; Braun, Norbert A.; Weber, Berthold; Kappey, Claus-Hermann; Meier, Manfred; Pickenhagen, Wilhelm Helvetica Chimica Acta, 2004 , vol. 87, # 7 p. 1666 - 1680

~%

3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯结构式

3A,4,5,6,7,7A-六...

2500-83-6

文献:Mamedov; Nabieva; Rasulova Russian Journal of Organic Chemistry, 2005 , vol. 41, # 7 p. 974 - 977

~%

3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯结构式

3A,4,5,6,7,7A-六...

2500-83-6

文献:Mamedov; Nabieva; Rasulova Russian Journal of Organic Chemistry, 2005 , vol. 41, # 7 p. 974 - 977

~%

3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯结构式

3A,4,5,6,7,7A-六...

2500-83-6

文献:Mamedov Russian Journal of Nondestructive Testing, 1997 , vol. 33, # 2 p. 165 - 168

~%

3A,4,5,6,7,7A-六氢-4,7-亚甲基-1H-茚-5-醇乙酸酯结构式

3A,4,5,6,7,7A-六...

2500-83-6

文献:Fanghaenel, E.; Keita, Y.; Radeglia, R.; Schmidt, W. Journal fuer Praktische Chemie (Leipzig), 1985 , vol. 327, # 5 p. 837 - 846

 英文别名

4,7-Methano-1H-inden-5-ol,3a,4,5,6,7,7a-hexahydro-,acetate
endo-tricyclo[5.2.1.0(2,6)]ec-3-en-exo-8-yl acetate
Tricyclo(5.2.1.02,6)dec-3-en-9-yl acetate
tricyclo[5,2,1,02,6]dec-3-enyl-9-acetate
exo-tricyclo[5.2.1.02,6]dec-3-en-exo-9-yl acetate
4,7-Methanoinden-5-ol,3a,4,5,6,7,7a-hexahydro-,acetate
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