Cas no 2304633-81-4 (2,4,6-Trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine)
2304633-81-4 structure
Product Name:2,4,6-Trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CAS No:2304633-81-4
MF:C13H21BN2O2
MW:248.129043340683
CID:5699523
PubChem ID:122199594
Update Time:2023-10-14
2,4,6-Trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 2304633-81-4
- 2,4,6-Trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
- starbld0000021
- E10228
- Pyrimidine, 2,4,6-trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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- Inchi： 1S/C13H21BN2O2/c1-8-11(9(2)16-10(3)15-8)14-17-12(4,5)13(6,7)18-14/h1-7H3
- InChI Key： PICDSDRZOHPRPS-UHFFFAOYSA-N
- SMILES： O1B(C2=C(C)N=C(C)N=C2C)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 248.1696081g/mol
- Monoisotopic Mass: 248.1696081g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 294
- 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: 1.03±0.1 g/cm3(Predicted)
- Boiling Point: 348.2±42.0 °C(Predicted)
- pka: 3.15±0.39(Predicted)
2,4,6-Trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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