Dibenzothiophene sulfone

• CAS: 1016-05-3
• Catalog Number: ACM1016053-2
• Category: Other Products
• Molecular Weight: 216.26
• Molecular Formula: C12H8O2S
• IUPAC Name: dibenzothiophene 5,5-dioxide
• Canonical SMILES: O=S1(=O)c2ccccc2-c3ccccc13
• InChI: 1S/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H
• InChI Key: IKJFYINYNJYDTA-UHFFFAOYSA-N
• Melting Point: 231-233 °C (lit.)
• Application: Dibenzo[b,d]thiophene sulfone has been recognized as one of the most attractive building blocks for the synthesis of H2-production polymer photocatalysts.
• Assay: 0.97
• Complexity: 313
• Covalently-Bonded Unit Count: 1
• EC Number: 213-805-9
• Exact Mass: 216.024501g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 15
• Monoisotopic Mass: 216.024501g/mol
• NSC Number: 627707;406519
• Rotatable Bond Count: 0
• XLogP3: 2.4

Synthetic Use

Upstream Synthesis Route 1

• 132-65-0

• 1013-23-6
• 1016-05-3

Reference: [1] Synlett, 2015, vol. 26, # 18, p. 2547 - 2552

Downstream Synthesis Route 1

• 86-73-7
• 1016-05-3

• 159-66-0

Reference: [1] Organic Letters, 2016, vol. 18, # 3, p. 384 - 387

Downstream Synthesis Route 2

• 1016-05-3

• 1013-23-6

Reference: [1] Chemistry - An Asian Journal, 2012, vol. 7, # 10, p. 2253 - 2257,5

Downstream Synthesis Route 3

• 1016-05-3

• 83834-12-2

Reference: [1]Gilman; Esmay
[Journal of the American Chemical Society, 1953, vol. 75, p. 278,280]

Downstream Synthesis Route 4

• 1016-05-3

• 51762-59-5

Reference: [1]Liang, Aihui; Luo, Ming; Liu, Yusheng; Wang, Han; Wang, Zhiping; Zheng, Xiaoyan; Cao, Tian; Liu, Dewang; Zhang, Yong; Huang, Fei
[Dyes and Pigments, 2018, vol. 159, p. 637 - 645]

Downstream Synthesis Route 5

• 1016-05-3

• 58920-49-3

Reference: [1]Current Patent Assignee: DUPONT DE NEMOURS INC - US2008/177088, 2008, A1
Location in patent: Page/Page column 8
[2]Gao, Yongjun; Kellar, Kenneth J.; Yasuda, Robert P.; Tran, Thao; Xiao, Yingxian; Dannals, Robert F.; Horti, Andrew G.
[Journal of Medicinal Chemistry, 2013, vol. 56, # 19, p. 7574 - 7589]
[3]Current Patent Assignee: THE JOHNS HOPKINS UNIVERSITY - US2016/235869, 2016, A1
Location in patent: Paragraph 0205; 0245
[4]Gilman et al.
[Journal of Organic Chemistry, 1938, vol. 3, p. 120,123]
[5]Current Patent Assignee: PFIZER INC - US4965284, 1990, A

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