4-[2-(Boc-amino)-2-propyl]phenylboronic Acid Pinacol Ester - CAS 335592-60-4
Catalog: |
BB021773 |
Product Name: |
4-[2-(Boc-amino)-2-propyl]phenylboronic Acid Pinacol Ester |
CAS: |
335592-60-4 |
Synonyms: |
N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]carbamic acid tert-butyl ester; tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]carbamate |
IUPAC Name: | tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]carbamate |
Description: | 4-[2-(Boc-amino)-2-propyl]phenylboronic Acid Pinacol Ester (CAS# 335592-60-4 ) is a useful research chemical. |
Molecular Weight: | 361.28 |
Molecular Formula: | C20H32NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)(C)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C20H32BNO4/c1-17(2,3)24-16(23)22-18(4,5)14-10-12-15(13-11-14)21-25-19(6,7)20(8,9)26-21/h10-13H,1-9H3,(H,22,23) |
InChI Key: | MMJKUKSXAGYJAZ-UHFFFAOYSA-N |
LogP: | 4.13650 |
Publication Number | Title | Priority Date |
WO-2021087181-A1 | Substituted pyrazole compounds as toll receptor inhibitors | 20191101 |
US-10336702-B2 | Pharmaceutically active compounds | 20141223 |
US-2018029985-A1 | Pharmaceutically active compounds | 20141223 |
US-2020010421-A1 | Pharmaceutically Active Compounds | 20141223 |
US-10766861-B2 | Pharmaceutically active compounds | 20141223 |
Complexity: | 500 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 361.2424387 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 361.2424387 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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