Cas no 2304634-42-0 (2-Isopropyl-4,6-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine)
2304634-42-0 structure
Product Name:2-Isopropyl-4,6-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CAS No:2304634-42-0
MF:C15H25BN2O2
MW:276.182204008102
CID:5741758
PubChem ID:122199596
Update Time:2023-11-11
2-Isopropyl-4,6-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 2-Isopropyl-4,6-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
- starbld0000003
- 2304634-42-0
- E10230
- Pyrimidine, 4,6-dimethyl-2-(1-methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
-
- Inchi： 1S/C15H25BN2O2/c1-9(2)13-17-10(3)12(11(4)18-13)16-19-14(5,6)15(7,8)20-16/h9H,1-8H3
- InChI Key： WUEQPQRLSZAZGQ-UHFFFAOYSA-N
- SMILES： O1B(C2=C(C)N=C(C(C)C)N=C2C)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 276.2009082g/mol
- Monoisotopic Mass: 276.2009082g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 332
- 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: 1.01±0.1 g/cm3(Predicted)
- Boiling Point: 367.1±42.0 °C(Predicted)
- pka: 3.10±0.39(Predicted)
2-Isopropyl-4,6-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine Related Literature
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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