Cas no 1334659-94-7 (2-Methyl-4-(N-Boc-piperazin-1-yl)phenylboronic acid pinacol ester)
1334659-94-7 structure
Product Name:2-Methyl-4-(N-Boc-piperazin-1-yl)phenylboronic acid pinacol ester
CAS No:1334659-94-7
MF:C22H35BN2O4
MW:402.335306406021
CID:6813506
PubChem ID:68246843
Update Time:2025-03-27
2-Methyl-4-(N-Boc-piperazin-1-yl)phenylboronic acid pinacol ester Chemical and Physical Properties
Names and Identifiers
-
- 1334659-94-7
- DB-214453
- Tert-butyl 4-(3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate
- CS-31290
- 2-Methyl-4-(N-Boc-piperazin-1-yl)phenylboronic acid pinacol ester
- SCHEMBL12331687
-
- Inchi： 1S/C22H35BN2O4/c1-16-15-17(9-10-18(16)23-28-21(5,6)22(7,8)29-23)24-11-13-25(14-12-24)19(26)27-20(2,3)4/h9-10,15H,11-14H2,1-8H3
- InChI Key： GVWOJAJYUQTTRV-UHFFFAOYSA-N
- SMILES： O1B(C2C=CC(=CC=2C)N2CCN(C(=O)OC(C)(C)C)CC2)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 402.2689878Da
- Monoisotopic Mass: 402.2689878Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 4
- Complexity: 580
- 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: 51.2?2
2-Methyl-4-(N-Boc-piperazin-1-yl)phenylboronic acid pinacol ester Related Literature
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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