Cas no 2227722-67-8 (rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid)
Technical Introduction:
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is a chiral cyclopropane derivative featuring a fused indane moiety. Its rigid bicyclic structure and carboxylic acid functionality make it a valuable intermediate in synthetic organic chemistry, particularly for the development of pharmaceuticals and agrochemicals. The stereospecific (1R,3R) configuration enhances its utility in enantioselective synthesis, while the dimethylcyclopropane ring contributes to metabolic stability. This compound’s well-defined stereochemistry and structural complexity enable precise modulation of biological activity, making it suitable for applications in medicinal chemistry research, such as ligand design or prodrug development. High purity and consistent synthesis protocols ensure reproducibility for industrial and academic use.
2227722-67-8 structure
Product Name:rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CAS No:2227722-67-8
MF:C15H18O2
MW:230.302224636078
CID:5846462
PubChem ID:96252275
Update Time:2025-06-07
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
- 2227722-67-8
- EN300-1746437
-
- Inchi： 1S/C15H18O2/c1-15(2)12(13(15)14(16)17)11-7-6-9-4-3-5-10(9)8-11/h6-8,12-13H,3-5H2,1-2H3,(H,16,17)/t12-,13+/m1/s1
- InChI Key： CFBACWJCAUZDKF-OLZOCXBDSA-N
- SMILES： OC([C@@H]1[C@@H](C2C=CC3CCCC=3C=2)C1(C)C)=O
Computed Properties
- Exact Mass: 230.130679813g/mol
- Monoisotopic Mass: 230.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 334
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 37.3?2
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1746437-0.05g |
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid |
2227722-67-8 | 0.05g |
$1200.0 | 2023-09-20 | ||
| Enamine | EN300-1746437-0.1g |
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid |
2227722-67-8 | 0.1g |
$1257.0 | 2023-09-20 | ||
| Enamine | EN300-1746437-0.25g |
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid |
2227722-67-8 | 0.25g |
$1315.0 | 2023-09-20 | ||
| Enamine | EN300-1746437-0.5g |
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid |
2227722-67-8 | 0.5g |
$1372.0 | 2023-09-20 | ||
| Enamine | EN300-1746437-1.0g |
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid |
2227722-67-8 | 1g |
$1429.0 | 2023-06-03 | ||
| Enamine | EN300-1746437-2.5g |
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid |
2227722-67-8 | 2.5g |
$2800.0 | 2023-09-20 | ||
| Enamine | EN300-1746437-5.0g |
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid |
2227722-67-8 | 5g |
$4143.0 | 2023-06-03 | ||
| Enamine | EN300-1746437-10.0g |
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid |
2227722-67-8 | 10g |
$6144.0 | 2023-06-03 | ||
| Enamine | EN300-1746437-1g |
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid |
2227722-67-8 | 1g |
$1429.0 | 2023-09-20 | ||
| Enamine | EN300-1746437-5g |
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid |
2227722-67-8 | 5g |
$4143.0 | 2023-09-20 |
rac-(1R,3R)-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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