4-Mercaptophenylboronic acid

• CAS: 237429-33-3
• Catalog Number: ACM237429333
• Category: Other Products
• Molecular Weight: 154g/mol
• Molecular Formula: C6H7BO2S
• Synonyms: 4-MERCAPTOPHENYLBORONIC ACID;Dihydroxy(4-mercaptophenyl)borane;4-Mercaptophenylboronic acid ,95%;(4-sulfanylphenyl)boronic acid;4-Mercaptophenylboronic acid 90%;4-Mercaptophenylboronic Acid (contains varying amounts of Anhydride)
• IUPAC Name: (4-sulfanylphenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)S)(O)O
• InChI: InChI=1S/C6H7BO2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,8-10H
• InChI Key: AUVSUPMVIZXUOG-UHFFFAOYSA-N
• Complexity: 102
• Covalently-Bonded Unit Count: 1
• Exact Mass: 154.025981g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 10
• Monoisotopic Mass: 154.025981g/mol
• Rotatable Bond Count: 1

Synthetic Use

Upstream Synthesis Route 1

• 237429-34-4

• 237429-33-3

Reference: [1] Journal of Organometallic Chemistry, 1999, vol. 581, # 1-2, p. 82 - 86

Upstream Synthesis Route 2

• 76-05-1
• 237429-34-4

• 237429-33-3

Reference: [1] Journal of Organometallic Chemistry, 1999, vol. 581, # 1-2, p. 82 - 86

Upstream Synthesis Route 3

• 688-74-4
• 5335-84-2

• 237429-33-3

Reference: [1]Current Patent Assignee: DALIAN SHUANGPENG PHARMACY CHEMICAL IND - CN114057782, 2022, A
Location in patent: Paragraph 0030; 0033-0034

Downstream Synthesis Route 1

• 237429-33-3
• 74-88-4

• 98546-51-1

Reference: [1] Journal of Organometallic Chemistry, 1999, vol. 581, # 1-2, p. 82 - 86
[2] Journal of Organometallic Chemistry, 1999, vol. 581, # 1-2, p. 82 - 86

Downstream Synthesis Route 2

• 728-87-0
• 237429-33-3

• 945244-19-9

Reference: [1]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - WO2007/56341, 2007, A1
Location in patent: Page/Page column 149-150
[2]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - US2008/9524, 2008, A1
Location in patent: Page/Page column 400; 401
[3]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - US2011/98311, 2011, A1
[4]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - US2015/231142, 2015, A1
Location in patent: Paragraph 1213

Downstream Synthesis Route 3

• 76-09-5
• 237429-33-3

• 1029438-23-0

Reference: [1]Angewandte Chemie - International Edition,2020,vol. 59,p. 14671 - 14676
Angew. Chem.,2020,vol. 132,p. 14779 - 14784,6

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