3,3'-二甲氧基(4,4'-二氨基联苯)-4,4'-二异氰酸酯 | 91926-90-8
3,3'-二甲氧基(4,4'-二氨基联苯)-4,4'-二异氰酸酯
ethyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
91926-90-8
C10H16O4
200.231643676758
名称和标识符
MDL |
MFCD00082584 |
InChIKey |
GZVXALXOWVXZLH-SLGIHZDVSA-N |
Inchi |
1S/C10H16O4/c1-4-12-9(11)6-5-8-7-13-10(2,3)14-8/h5-6,8H,4,7H2,1-3H3/b6-5-/t8-/m0/s1 |
SMILES |
C(/[C@@H]1OC(C)(C)OC1)=C/C(=O)OCC |
别名信息
- 中文别名 -
- (S)-(+)-3-(2,2-二甲基-1,3-二氧戊环-4-基)-顺式-2-丙烯酸乙酯
- (S)-(+)-3-(2,2-二甲基-1,3-二氧戊环-4-基)-順式-丙酸乙酯
- (Z)-4,5-o-异亚丙基-(s)-4,5-二羟基-2-戊烯酸乙酯
- 3,3'-二甲氧基(4,4'-二氨基联苯)-4,4'-二异氰酸酯
- 英文别名 -
- 2-Propenoic acid,3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-, ethyl ester, (2Z)-
- (Z)-ETHYL-4,5-O-ISOPROPYLIDENE-(S)-4,5-DIHYDROXY-2-PENTENOATE
- 3,3'-DIMETHOXYBENZIDINE-4,4'-DIISOCYANATE
- (Z)-(S)-1-ethoxycarbonyl-3,4-O-isopropylidene-1-butene-3,4-diol
- (Z)-3-((4'S)-2',2'-dimethyl-1',3'-dioxolan-4'-yl)prop-2-enoic acid ethyl ester
- ethyl (2Z,4'S)-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-2-propenoate
- ETHYL (S)-(+)-3-(2,2-DIMETHYL-1,3-DIOXOLAN-4-
- ethyl (S)-cis-4,5-O-isopropyl.-4,5-di-hydroxy-2-pentenoate
- ETHYL-(S)-(Z)-4,5-O-ISOPROPYLIDENE 4,5-DIHYDROXYPENT-2-ENOATE
- ETHYL-(Z)-3-[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-2-PROPENOATE
- 2-Propenoic acid, 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-, ethyl ester, [S-(Z)]- (ZCI)
- Ethyl (2Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-propenoate (ACI)
- Ethyl (S)-cis-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
- ethyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
物化性质
实验特性
LogP |
1.25720 |
PSA |
44.76000 |
折射率 |
n20/D 1.443(lit.) |
沸点 |
241°Cat760mmHg |
闪点 |
207 °F |
颜色与性状 |
未确定 |
溶解性 |
未确定 |
密度 |
1.038 g/mL at 25 °C(lit.) |
计算特性
精确分子量 |
200.10500 |
氢键供体数量 |
0 |
氢键受体数量 |
4 |
可旋转化学键数量 |
4 |
重原子数量 |
14 |
复杂度 |
232 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
1 |
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 |
1 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
1 |
互变异构体数量 |
无 |
表面电荷 |
0 |
合成路线
合成路线:1 步
1.1
Reagents:
Silica
,
Sodium periodate
Solvents:
Diethyl ether
,
Water
;
1 - 3 h, rt
参考文献:
In situ oxidative diol cleavage-Wittig processes
Outram, Helen S.;
Raw, Steven A.;
Taylor, Richard J. K.,
Tetrahedron Letters,
2002,
43(35),
6185-6187