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Structure

9-(Biphenyl-4-yl)-9H-carbazol-3-ylboronic acid

CAS
1133058-06-6
Catalog Number
ACM1133058066
Category
Boronic Acids
Molecular Weight
363.2g/mol
Molecular Formula
C24H18BNO2

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Specification

IUPAC Name
(6,9-diphenylcarbazol-3-yl)boronic acid
Canonical SMILES
B(C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5)(O)O
InChI
InChI=1S/C24H18BNO2/c27-25(28)19-12-14-24-22(16-19)21-15-18(17-7-3-1-4-8-17)11-13-23(21)26(24)20-9-5-2-6-10-20/h1-16,27-28H
InChI Key
AIDQRXUWQFRMAQ-UHFFFAOYSA-N
Complexity
517
Covalently-Bonded Unit Count
1
Exact Mass
363.143059g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
28
Monoisotopic Mass
363.143059g/mol
Rotatable Bond Count
3

Upstream Synthesis Route 1

  • 5419-55-6
  • 1160294-85-8
  • 1133058-06-6

Reference: [1] Patent: WO2012/121561, 2012, A1, . Location in patent: Page/Page column 27

Upstream Synthesis Route 2

  • 98-80-6
  • 1133058-06-6

Reference: [1] Patent: WO2012/121561, 2012, A1,

Upstream Synthesis Route 3

  • 1153-85-1
  • 1133058-06-6

Reference: [1] Patent: WO2012/121561, 2012, A1,

Downstream Synthesis Route 1

  • 1133058-06-6
  • 92151-21-8
  • 1246512-91-3

Reference: [1]Patent: US2010/244669,2010,A1 .Location in patent: Page/Page column 23-25

Downstream Synthesis Route 2

  • 1133058-06-6
  • 1199798-77-0
  • 1199798-78-1

Reference: [1]Patent: EP2301921,2011,A1 .Location in patent: Page/Page column 158-159

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

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