5-Bromophthalide

• CAS: 64169-34-2
• Catalog Number: ACM64169342
• Category: Bromine Series
• Molecular Weight: 213.03
• Molecular Formula: C8H5O2Br

Custom Q&A

What is the PubChem CID of 5-Bromophthalide?

The PubChem CID of 5-Bromophthalide is 603144.

What is the molecular formula of 5-Bromophthalide?

The molecular formula of 5-Bromophthalide is C8H5BrO2.

What is the molecular weight of 5-Bromophthalide?

The molecular weight of 5-Bromophthalide is 213.03 g/mol.

What is the IUPAC name of 5-Bromophthalide?

The IUPAC name of 5-Bromophthalide is 5-bromo-3H-2-benzofuran-1-one.

What is the InChI of 5-Bromophthalide?

The InChI of 5-Bromophthalide is InChI=1S/C8H5BrO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2.

What is the InChIKey of 5-Bromophthalide?

The InChIKey of 5-Bromophthalide is IUSPXLCLQIZFHL-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromophthalide?

The canonical SMILES of 5-Bromophthalide is C1C2=C(C=CC(=C2)Br)C(=O)O1.

What is the CAS number of 5-Bromophthalide?

The CAS number of 5-Bromophthalide is 64169-34-2.

What is the European Community (EC) number of 5-Bromophthalide?

The European Community (EC) number of 5-Bromophthalide is 613-485-4.

Is 5-Bromophthalide a canonicalized compound?

Yes, 5-Bromophthalide is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 65399-05-5

• 64169-34-2

Reference: [1] Patent: US2011/77394, 2011, A1, . Location in patent: Page/Page column 15

Upstream Synthesis Route 2

• 68837-59-2

• 64169-34-2

Reference: [1] Tetrahedron Letters, 2001, vol. 42, # 9, p. 1647 - 1649
[2] Arzneimittel-Forschung/Drug Research, 2005, vol. 55, # 10, p. 588 - 597
[3] European Journal of Medicinal Chemistry, 2018, vol. 155, p. 754 - 763
[4] Patent: WO2010/132670, 2010, A2, . Location in patent: Page/Page column 170-171
[5] Synthetic Communications, 2003, vol. 33, # 19, p. 3435 - 3453

Upstream Synthesis Route 3

• 38568-41-1

• 64169-34-2

Reference: [1] Letters in Organic Chemistry, 2016, vol. 13, # 2, p. 127 - 134

Upstream Synthesis Route 4

• 65399-05-5

• 64169-34-2

Reference: [1]Patent: US2011/77394,2011,A1 .Location in patent: Page/Page column 15

Downstream Synthesis Route 1

• 64169-34-2

• 171011-37-3

Reference: [1]Journal of Organic Chemistry,2014,vol. 79,p. 339 - 351
[2]Angewandte Chemie - International Edition,2016,vol. 55,p. 15364 - 15368
Angew. Chem.,2016,p. 15590 - 15594,5
[3]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1954,vol. 238,p. 2246

Downstream Synthesis Route 2

• 64169-34-2

• 670256-21-0

Reference: [1]Patent: US2008/15237,2008,A1 .Location in patent: Page/Page column 33

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