Cas no 129422-12-4 (iodozinc(1+),2-methanidyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
129422-12-4 structure
Product Name:iodozinc(1+),2-methanidyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No:129422-12-4
MF:C7H14BIO2Zn
MW:333.309331417084
CID:2769736
PubChem ID:15977316
Update Time:2025-04-21
iodozinc(1+),2-methanidyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Chemical and Physical Properties
Names and Identifiers
-
- iodozinc(1+),2-methanidyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Knochel's borylmethylzinc reagent;
- DTXSID40471932
- 129422-12-4
- Zinc, iodo[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-
-
- Inchi： 1S/C7H14BO2.HI.Zn/c1-6(2)7(3,4)10-8(5)9-6;;/h5H2,1-4H3;1H;/q-1;;+2/p-1
- InChI Key： SLOMCUAKURJWPT-UHFFFAOYSA-M
- SMILES： I[Zn+].O1B([CH2-])OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 331.94200
- Monoisotopic Mass: 331.94230Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 129
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46000
- LogP: -1.90620
iodozinc(1+),2-methanidyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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