Structure

4-Dibenzofuranamine

CAS
50548-43-1
Catalog Number
ACM50548431
Category
Other Products
Molecular Weight
183.21g/mol
Molecular Formula
C12H9NO

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Specification

IUPAC Name
dibenzofuran-4-amine
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)N
InChI
InChI=1S/C12H9NO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H,13H2
InChI Key
QKBTTXJHJNXCOQ-UHFFFAOYSA-N
Complexity
218
Covalently-Bonded Unit Count
1
Exact Mass
183.068414g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
14
Monoisotopic Mass
183.068414g/mol
Rotatable Bond Count
0
XLogP3
3.4

Upstream Synthesis Route 1

  • 1399050-09-9
  • 50548-43-1

Reference: [1] Patent: WO2012/121936, 2012, A2, . Location in patent: Page/Page column 71

Upstream Synthesis Route 2

  • 100124-06-9
  • 50548-43-1

Reference: [1] Angewandte Chemie - International Edition, 2009, vol. 48, # 6, p. 1114 - 1116
[2] Journal of the American Chemical Society, 2012, vol. 134, # 44, p. 18253 - 18256

Upstream Synthesis Route 3

  • 67-62-9
  • 132-64-9
  • 50548-43-1

Reference: [1]Iowa State College Journal of Science,1943,vol. 18,p. 98,99

Upstream Synthesis Route 4

  • 19261-06-4
  • 50548-43-1

Reference: [1]Journal of the American Chemical Society,1944,vol. 66,p. 1884
[2]Journal of the American Chemical Society,1935,vol. 57,p. 1123,1125

Downstream Synthesis Route 1

  • 50548-43-1
  • 50548-45-3

Reference: [1] Journal of the American Chemical Society, 1939, vol. 61, p. 1365,1369

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

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