Name: Name:3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, pinacol ester
Brand: AABLOCKS
SKU: AA004T4W
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA004T4W

Chemical Name: 3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, pinacol ester

CAS Number: 840521-76-8

Molecular Formula: C17H27BN2O3

Molecular Weight: 318.2189

MDL Number: MFCD05865086

SMILES: CN(CCNC(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)C

Properties

Storage: Keep in dry area;2-8℃;

Complexity: 410

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 23

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

Downstream Synthesis Route

269409-73-6

108-00-9

840521-76-8

[1]Patent:EP2196465,2010,A1.Locationinpatent:Page/Pagecolumn31

[2]Patent:EP2380890,2011,A1.Locationinpatent:Page/Pagecolumn33

[3]Patent:EP2394998,2011,A1.Locationinpatent:Page/Pagecolumn22

[4]JournalofMedicinalChemistry,2016,vol.59,p.10479-10497

[5]Patent:WO2019/73253,2019,A1.Locationinpatent:Paragraph00210

840521-76-8 | 3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, pinacol ester