2,3-二甲氧基肉桂酸 | 7345-82-6
中文名称:
2,3-二甲氧基肉桂酸
英文名称:
(E)-3-(2,3-Dimethoxyphenyl)acrylic acid
CAS No.:
7345-82-6
分子式:
C1 1 H1 2 O4
分子量:
208.2106
名称和标识符
MDL
MFCD00004376
InChIKey
QAXPUWGAGVERSJ-VOTSOKGWSA-N
Inchi
1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+
SMILES
O(C([H])([H])[H])C1C(=C([H])C([H])=C([H])C=1/C(/[H])=C(\[H])/C(=O)O[H])OC([H])([H])[H]
BRN
2695122
别名信息
- 中文别名 -
2,3-二甲氧基肉桂酸
反式-2,3-二甲氧基肉桂酸
反-2,3-二甲氧基肉桂酸
trans-2,3-Dimethoxycinnamic Acid 反-2,3-二甲氧基肉桂酸
反-3-(2,3-二甲氧基苯基)-2-丙烯酸
- 英文别名 -
trans-2,3-Dimethoxycinnamic acid
2,3-Dimethoxycinnamic acid
(2E)-3-(2,3-Dihydrobenzo[b]furan-5-yl)prop-2-enoic acid,(2E)-3-(2,3-Dihydro-1-benzofuran-5-yl)prop-2-enoic acid
(E)-3-(2,3-Dihydrobenzo[b]furan-5-yl)acrylic acid
(E)-3-(2,3-dihydrobenzofuran-5-yl)acrylic acid
(E)-3-(2,3-dimethoxyphenyl)propenoic acid
2,3-DICHLORO-6-FLUOROBENZYL BROMIDE
2,3-dimethoxy trans-cinnamic acid
2,3-Dimethoxycinnamic
3-(2,3-dihydro-1-benzofuran-5-yl)-2-propenoic acid
3-(2,3-Dihydro-benzo[b]furan-5-yl)acrylic acid
trans-3-(2,3-Dimethoxyphenyl)-2-propenoic Acid
(2E)-3-(2,3-dimethoxyphenyl)acrylic acid
(E)-3-(2,3-Dimethoxyphenyl)acrylic acid
3-(2,3-dimethoxyphenyl)acrylic acid
2,3-Dimethoxy cinnamic acid
3-(2,3-dimethoxyphenyl)prop-2-enoic acid
(E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-
QAXPUWGAGVERSJ-VOTSOKGWSA-N
(2E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
(E)-3-(2,3-dimethoxy-phenyl)-acrylic acid
(~{E})-3
EN300-832861
EN300-832861
7345-82-6
7345-82-6
MFCD00004376
MFCD00004376
NSC235795
NSC235795
A838178
A838178
D2326
D2326
7461-60-1
7461-60-1
EINECS 231-249-5
EINECS 231-249-5
NSC 403612
NSC 403612
(~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
(~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
NSC 235795
NSC 235795
AC-10326
AC-10326
AC8832
AC8832
Q63398874
Q63398874
3-(2,3-dimethoxyphenyl)acrylicacid
3-(2,3-dimethoxyphenyl)acrylicacid
EN300-16895
EN300-16895
2,3-Dimethoxycinnamicacid
2,3-Dimethoxycinnamicacid
NSC-235795
NSC-235795
InChI=1/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6
InChI=1/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6
MS-8959
SCHEMBL457033
MS-8959
SCHEMBL457033
AKOS000263419
W-104415
AKOS000263419
6-(2-Hydroxy-ethyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylicacid
W-104415
Z2942851155
6-(2-Hydroxy-ethyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylicacid
2',3'-Dimethoxycinnamic acid
Z2942851155
trans-2,3-Dimethoxycinnamic acid, 97%
2',3'-Dimethoxycinnamic acid
8N2
trans-2,3-Dimethoxycinnamic acid, 97%
SCHEMBL1056670
8N2
SR-01000597141
SCHEMBL1056670
2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, (2E)-
SR-01000597141
SR-01000597141-1
2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, (2E)-
SR-01000597141-1
物化性质
实验特性
LogP
1.80160
PSA
55.76000
熔点
182-184 °C (lit.)
颜色与性状
无可用
溶解性
无可用
计算特性
精确分子量
208.07400
氢键供体数量
1
氢键受体数量
4
可旋转化学键数量
4
同位素质量
208.07355886g/mol
重原子数量
15
复杂度
237
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
1
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)
1.8
表面电荷
0
拓扑分子极性表面积
55.8
相关文献
1.
XXVI.—A synthesis of isoopianic acid
Satyendra Nath Chakravarti,William Henry Perkin J. Chem. Soc. 1929 193
2.
Synthesis and biological evaluation of benzocyclooctene-based and indene-based anticancer agents that function as inhibitors of tubulin polymerization
Christine A. Herdman,Tracy E. Strecker,Rajendra P. Tanpure,Zhi Chen,Alex Winters,Jeni Gerberich,Li Liu,Ernest Hamel,Ralph P. Mason,David J. Chaplin,Mary Lynn Trawick,Kevin G. Pinney Med. Chem. Commun. 2016 7 2418
3.
The efficient and selective catalytic oxidation of para-substituted cinnamic acid derivatives by the cytochrome P450 monooxygenase, CYP199A4
Rebecca R. Chao,James J. De Voss,Stephen G. Bell RSC Adv. 2016 6 55286
4.
Intramolecular Povarov reactions involving 3-aminocoumarins
Amit A. Kudale,David O. Miller,Louise N. Dawe,Graham J. Bodwell Org. Biomol. Chem. 2011 9 7196
5.
LXXXIX.—Substitution in vicinal trisubstituted benzene derivatives. Part IV
Leon Rubenstein J. Chem. Soc. 1926 129 648
6.
292. Purpurogallin. Part VI. Mechanism of the oxidation of pyrogallol
Alan Critchlow,Robert D. Haworth,Peter L. Pauson J. Chem. Soc. 1951 1318
7.
CCCLXXVI.—A synthesis of m-opianic acid
William Henry Perkin,Francis Wilbert Stoyle J. Chem. Soc. Trans. 1923 123 3171
8.
CCCV.—5 : 6-Dimethoxy-2-methyl-1 : 2 : 3 : 4-tetrahydroisoquinoline and some derivatives
Robert Downs Haworth J. Chem. Soc. 1927 2281
9.
Index of subjects
J. Chem. Soc. Abstr. 1914 106 ii1003
10.
225. Action of acidic reagents on methyl 2-arylvinylcarbamates
K. W. Gopinath,T. R. Govindachari,K. Nagarajan,K. K. Purushothaman J. Chem. Soc. 1957 1144
参考资料
Reaxys RN
2110136
Beilstein
10(1)211
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