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Structure

1H-2,1-Benzoxaborin,3,4-dihydro-1-hydroxy-

CAS
19206-51-0
Catalog Number
ACM19206510
Category
Other Products
Molecular Weight
147.9681
Molecular Formula
C8H9 B O2

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Specification

Synonyms
MolPort-001-768-269, OR3329, EN000516, 2-(2-Hydroxyethyl)Benzeneboronic Acid Dehydrate, 19206-51-0
IUPAC Name
1-hydroxy-3,4-dihydro-2,1-benzoxaborinine
Canonical SMILES
B1(C2=CC=CC=C2CCO1)O
InChI Key
CKEWCFGVNDVQSC-UHFFFAOYSA-N
Boiling Point
260ºC at 760mmHg
Melting Point
70-72ºC
Flash Point
111ºC
Density
1.14g/cm³
Exact Mass
148.07000
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
1

Upstream Synthesis Route 1

  • 13675-18-8
  • 1074-16-4
  • 19206-51-0

Reference: [1]Kunihiro, Kana; Dumais, Laurence; Lafitte, Guillaume; Varvier, Emeric; Tomas, Loïc; Harris, Craig S.
[Advanced Synthesis and Catalysis, 2018, vol. 360, # 14, p. 2757 - 2761]
[2]Lafitte, Guillaume; Kunihiro, Kana; Bonneaud, Céline; Dréan, Bénédicte; Gaigne, Frédéric; Parnet, Véronique; Pierre, Romain; Raffin, Catherine; Vatinel, Rodolphe; Fournier, Jean-François; Musicki, Branislav; Ouvry, Gilles; Bouix-Peter, Claire; Tomas, Loic; Harris, Craig S.
[Tetrahedron Letters, 2017, vol. 58, # 39, p. 3757 - 3759]

Upstream Synthesis Route 2

  • 956229-86-0
  • 19206-51-0

Reference: [1]Current Patent Assignee: SILVERBACK THERAPEUTICS INC - WO2019/79357, 2019, A1
Location in patent: Paragraph 0373; 0375

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