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Structure

4-[(Cyclopropylcarbamoyl)amino]benzeneboronic acid,pinacol ester

CAS
874297-79-7
Catalog Number
ACM874297797
Category
Other Products
Molecular Weight
302.18
Molecular Formula
C16H23BN2O3

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Specification

Synonyms
874297-79-7, 4-(3-Cyclopropylureido)phenylboronic acid, pinacol ester, 1-Cyclopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea, SureCN443553, CTK8B3874, MolPort-001-767-660, ANW-43352, OR3457, AKOS015999406, AK-92794, BD230654, KB-34083, FT-0688808, B-4075, 4-(3-Cyclopropylureido)phenylboronic acid pinacol ester, 4-(3-Cyclopropylureido)benzeneboronic acid, pinacol ester, 4-(3-Cyclopropylureido)phenylboronic acid, pinacol ester,, 4-[(Cyclopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester, 3-cyclopropyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
IUPAC Name
1-cyclopropyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)NC3CC3
InChI Key
TUHNHHNBHVOYFR-UHFFFAOYSA-N
Boiling Point
414.8ºC at 760 mmHg
Melting Point
227-229ºC
Flash Point
204.7ºC
Density
1.14g/cm³
Exact Mass
302.18000
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
2

Downstream Synthesis Route 1

  • 10397-13-4
  • 874297-79-7
  • 1692-25-7
  • 1333108-16-9

Reference: [1]Patent: WO2011/107585,2011,A1 .Location in patent: Page/Page column 57-58

Downstream Synthesis Route 2

  • 874297-79-7
  • 24192-96-9
  • 1333108-41-0

Reference: [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2011/107585, 2011, A1
Location in patent: Page/Page column 75-76

Downstream Synthesis Route 3

  • 874297-79-7
  • 903129-71-5
  • 1402551-52-3

Reference: [1]Patent: WO2012/136622,2012,A1 .Location in patent: Page/Page column 52-53

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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