4-(Boc-amino)phenylboronic Acid Pinacol Ester - CAS 330793-01-6
Catalog: |
BB021549 |
Product Name: |
4-(Boc-amino)phenylboronic Acid Pinacol Ester |
CAS: |
330793-01-6 |
Synonyms: |
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamic acid tert-butyl ester; tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
IUPAC Name: | tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
Description: | 4-(Boc-amino)phenylboronic Acid Pinacol Ester (CAS# 330793-01-6) is a useful research chemical. |
Molecular Weight: | 319.20 |
Molecular Formula: | C17H26NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20) |
InChI Key: | HSJNIOYPTSKQBD-UHFFFAOYSA-N |
Boiling Point: | 421.6 ℃ at 760 mmHg |
Melting Point: | 167-170 ℃ (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.06 g/cm3 |
MDL: | MFCD02179439 |
LogP: | 3.40580 |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 20191220 |
US-2020397697-A1 | Formulations of tie-2 activators and methods of use thereof | 20190624 |
WO-2020195998-A1 | Explosive composition and method for manufacturing same, and method for manufacturing heteroatom-doped nanodiamond | 20190326 |
WO-2020195998-A9 | Explosive composition and method for manufacturing same, and method for manufacturing heteroatom-doped nanodiamond | 20190326 |
WO-2020195997-A1 | Heteroatom-doped nanodiamond | 20190326 |
Complexity: | 420 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 319.1954885 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 319.1954885 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 56.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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