Cas no 109151-07-7 (4-{[(2R)-3-hydroxy-3-methyl-2-(3-methylbutoxy)butyl]oxy}-7H-furo[3,2-g]chromen-7-one)
![4-{[(2R)-3-hydroxy-3-methyl-2-(3-methylbutoxy)butyl]oxy}-7H-furo[3,2-g]chromen-7-one structure](https://ossimg.kuujia.com/scimg/109500/109151-07-7x500.png)
109151-07-7 structure
Product Name:4-{[(2R)-3-hydroxy-3-methyl-2-(3-methylbutoxy)butyl]oxy}-7H-furo[3,2-g]chromen-7-one
CAS No:109151-07-7
MF:C21H26O6
MW:374.427546977997
CID:1187557
PubChem ID:184041
Update Time:2025-04-20
4-{[(2R)-3-hydroxy-3-methyl-2-(3-methylbutoxy)butyl]oxy}-7H-furo[3,2-g]chromen-7-one Chemical and Physical Properties
Names and Identifiers
-
- 4-{[(2R)-3-hydroxy-3-methyl-2-(3-methylbutoxy)butyl]oxy}-7H-furo[3,2-g]chromen-7-one
- 109151-07-7
- 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(3-hydroxy-3-methyl-2-(3-methylbutoxy)butoxy)-, (R)-
- DTXSID50911011
- 4-[3-Hydroxy-3-methyl-2-(3-methylbutoxy)butoxy]-7H-furo[3,2-g][1]benzopyran-7-one
-
- Inchi： 1S/C21H26O6/c1-13(2)7-9-25-18(21(3,4)23)12-26-20-14-5-6-19(22)27-17(14)11-16-15(20)8-10-24-16/h5-6,8,10-11,13,18,23H,7,9,12H2,1-4H3/t18-/m1/s1
- InChI Key： OKTHWNGYYPORFX-GOSISDBHSA-N
- SMILES： O(CCC(C)C)[C@H](COC1=C2C=CC(=O)OC2=CC2=C1C=CO2)C(C)(C)O
Computed Properties
- Exact Mass: 374.17298
- Monoisotopic Mass: 374.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 543
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 78.1?2
Experimental Properties
- Density: 1.203
- Boiling Point: 534.8°C at 760 mmHg
- Flash Point: 277.2°C
- Refractive Index: 1.565
- PSA: 78.13
4-{[(2R)-3-hydroxy-3-methyl-2-(3-methylbutoxy)butyl]oxy}-7H-furo[3,2-g]chromen-7-one Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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