2-Dimethylaminopyrimidine-5-boronic acid pinacol ester

Product Information

Molecular Formula:
C12H20BN3O2
Molecular Weight:
249.12
Description
2-Dimethylaminopyrimidine-5-boronic acid pinacol ester is a pharmaceutical intermediate often used in research. It is instrumental in the synthesis of kinase inhibitors, key in developing drugs dealing with cardiovascular diseases, cancer and Alzheimer's.
Synonyms
2-(Dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
IUPAC Name
N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N(C)C
InChI
InChI=1S/C12H20BN3O2/c1-11(2)12(3,4)18-13(17-11)9-7-14-10(15-8-9)16(5)6/h7-8H,1-6H3
InChI Key
RMPRVJCNMPFBCX-UHFFFAOYSA-N
Melting Point
107-112°C
Flash Point
Not applicable
Purity
98%
Storage
2-8°C

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
249.1648571 g/mol
Monoisotopic Mass
249.1648571 g/mol
Topological Polar Surface Area
47.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
286
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
TW-202003508-A Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same 2018-03-21
US-2019322655-A1 Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same 2018-03-21
CN-111886233-A Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same 2018-03-21
US-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same 2018-03-21
US-2021317110-A1 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same 2018-03-21
CN-111372926-A Inhibitors of WDR5 protein-protein binding 2017-09-06
US-2020385371-A1 Inhibitors of wdr5 protein-protein binding 2017-09-06
US-2018072741-A1 Pyrazolopyrimidine compounds and uses thereof 2016-09-09
US-2020172545-A1 Pyrazolopyrimidine compounds and uses thereof 2016-09-09
US-11014929-B2 Pyrazolopyrimidine compounds and uses thereof 2016-09-09
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

Online Inquiry
  • Verification code
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2024 BOC Sciences. All rights reserved.
Top
Inquiry Basket