3-Fluoro-4-methoxycarbonylphenylboronic acid

• CAS: 603122-52-7
• Catalog Number: ACM603122527-1
• Category: Boronic Acids

Custom Q&A

What is the molecular formula of 3-Fluoro-4-methoxycarbonylphenylboronic acid?

The molecular formula is C8H8BFO4.

What is the molecular weight of 3-Fluoro-4-methoxycarbonylphenylboronic acid?

The molecular weight is 197.96 g/mol.

What is the IUPAC name of 3-Fluoro-4-methoxycarbonylphenylboronic acid?

The IUPAC name is (3-fluoro-4-methoxycarbonylphenyl)boronic acid.

What is the InChI of 3-Fluoro-4-methoxycarbonylphenylboronic acid?

The InChI is InChI=1S/C8H8BFO4/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,12-13H,1H3.

What is the InChIKey of 3-Fluoro-4-methoxycarbonylphenylboronic acid?

The InChIKey is YZYGXFXSMDUXJT-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Fluoro-4-methoxycarbonylphenylboronic acid?

The canonical SMILES is B(C1=CC(=C(C=C1)C(=O)OC)F)(O)O.

What is the CAS number of 3-Fluoro-4-methoxycarbonylphenylboronic acid?

The CAS number is 505083-04-5.

What is the European Community (EC) number of 3-Fluoro-4-methoxycarbonylphenylboronic acid?

The EC number is 692-018-6.

What is the DSSTox Substance ID of 3-Fluoro-4-methoxycarbonylphenylboronic acid?

The DSSTox Substance ID is DTXSID00382318.

Is 3-Fluoro-4-methoxycarbonylphenylboronic acid a covalently-bonded unit?

Yes, 3-Fluoro-4-methoxycarbonylphenylboronic acid is a covalently-bonded unit.

Synthetic Use

Upstream Synthesis Route 1

• 73183-34-3
• 179232-29-2

• 603122-52-7

Reference: [1]Imanishi, Masashi; Tomishima, Yasuyo; Itou, Shinji; Hamashima, Hitoshi; Nakajima, Yutaka; Washizuka, Kenichi; Sakurai, Minoru; Matsui, Shigeo; Imamura, Emiko; Ueshima, Koji; Yamamoto, Takao; Yamamoto, Nobuhiro; Ishikawa, Hirofumi; Nakano, Keiko; Unami, Naoko; Hamada, Kaori; Matsumura, Yasuhiro; Takamura, Fujiko; Hattori, Kouji
[Journal of Medicinal Chemistry, 2008, vol. 51, # 6, p. 1925 - 1944]
[2]Current Patent Assignee: ELI LILLY & CO - WO2004/94363, 2004, A1
Location in patent: Page 19-20
[3]Current Patent Assignee: ELI LILLY & CO - WO2005/9941, 2005, A1
Location in patent: Page 20
[4]Current Patent Assignee: ROCHE HOLDING AG - US2011/144105, 2011, A1
Location in patent: Page/Page column 71
[5]Current Patent Assignee: ELI LILLY & CO - WO2004/94382, 2004, A1
Location in patent: Page 20

Upstream Synthesis Route 2

• 112704-79-7
• 73183-34-3

• 603122-52-7

Reference: [1]Current Patent Assignee: ASTELLAS PHARMA INC. - US2004/6143, 2004, A1

Downstream Synthesis Route 1

• 603122-52-7

• 505083-04-5

Reference: [1] Journal of Medicinal Chemistry, 2008, vol. 51, # 6, p. 1925 - 1944
[2] Patent: WO2004/94363, 2004, A1, . Location in patent: Page 19-20
[3] Patent: WO2005/9941, 2005, A1, . Location in patent: Page 20
[4] Patent: WO2004/94382, 2004, A1, . Location in patent: Page 20

Downstream Synthesis Route 2

• 603122-52-7

• 505083-04-5

Reference: [1]Journal of Medicinal Chemistry,2008,vol. 51,p. 1925 - 1944
[2]Patent: WO2004/94363,2004,A1 .Location in patent: Page 19-20
[3]Patent: WO2005/9941,2005,A1 .Location in patent: Page 20
[4]Patent: WO2004/94382,2004,A1 .Location in patent: Page 20

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