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Structure

4,4,5,5-Tetramethyl-2-[4-(trifluoromethyl)-1-cyclohexen-1-yl]-1,3,2-dioxaborolane

CAS
683242-93-5
Catalog Number
ACM683242935
Category
Other Products
Molecular Weight
276.1
Molecular Formula
C13H20BF3O2

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Specification

Synonyms
683242-93-5, 4,4,5,5-Tetramethyl-2-[4-(trifluoromethyl)-1-cyclohexen-1-yl]-1,3,2-dioxaborolane, AGN-PC-00BP8C, SureCN1781755, CTK8B8246, MolPort-020-003-404, ANW-59752, AKOS016003779, AK-38098, KB-10197, AM20100633, 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)-1-cyclohexen-1-yl]-, 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)-1-cyclohexen-1-yl]-, 4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)C(F)(F)F
InChI Key
WZIGWZGLMLDGKU-UHFFFAOYSA-N
Boiling Point
243ºC
Flash Point
101ºC
Density
1.1
Exact Mass
276.15100
H-Bond Acceptor
5
H-Bond Donor
0

Upstream Synthesis Route 1

  • 865869-25-6
  • 73183-34-3
  • 683242-93-5

Reference: [1] Journal of Medicinal Chemistry, 2006, vol. 49, # 12, p. 3719 - 3742
[2] Journal of Medicinal Chemistry, 2007, vol. 50, # 15, p. 3528 - 3539
[3] Patent: WO2016/128529, 2016, A1, . Location in patent: Paragraph 0828; 0831; 0832
[4] Patent: US2005/182067, 2005, A1, . Location in patent: Page/Page column 28-29
[5] Patent: WO2014/49047, 2014, A1, . Location in patent: Page/Page column 114; 115; 116

Upstream Synthesis Route 2

  • 75091-99-5
  • 683242-93-5

Reference: [1] Journal of Medicinal Chemistry, 2006, vol. 49, # 12, p. 3719 - 3742
[2] Patent: WO2014/49047, 2014, A1,
[3] Patent: WO2016/128529, 2016, A1,

Upstream Synthesis Route 3

  • 75091-99-5
  • 683242-93-5

Reference: [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 3719 - 3742
[2]Patent: WO2014/49047,2014,A1
[3]Patent: WO2016/128529,2016,A1

Downstream Synthesis Route 1

  • 683242-93-5
  • 6627-22-1
  • 1590398-35-8

Reference: [1]Patent: WO2014/49047,2014,A1 .Location in patent: Page/Page column 115; 116

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

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