Cas no 2304634-12-4 (2-Cyclohexyl-4,6-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine)
2304634-12-4 structure
Product Name:2-Cyclohexyl-4,6-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CAS No:2304634-12-4
MF:C18H29BN2O2
MW:316.246064901352
CID:6630669
PubChem ID:122360571
Update Time:2024-01-04
2-Cyclohexyl-4,6-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- E10232
- starbld0000005
- Pyrimidine, 2-cyclohexyl-4,6-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- 2304634-12-4
- 2-Cyclohexyl-4,6-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
- DTXSID901126177
-
- Inchi： 1S/C18H29BN2O2/c1-12-15(19-22-17(3,4)18(5,6)23-19)13(2)21-16(20-12)14-10-8-7-9-11-14/h14H,7-11H2,1-6H3
- InChI Key： QRSBWELRYDCZJS-UHFFFAOYSA-N
- SMILES： O1B(C2C(C)=NC(C3CCCCC3)=NC=2C)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 316.2322083g/mol
- Monoisotopic Mass: 316.2322083g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 395
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44.2?2
Experimental Properties
- Density: 1.04±0.1 g/cm3(Predicted)
- Boiling Point: 435.2±45.0 °C(Predicted)
- pka: 3.16±0.39(Predicted)
2-Cyclohexyl-4,6-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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