2-(4-Methoxy phenyl)-6-methoxy benzo[b]thiophene

• CAS: 63675-74-1
• Catalog Number: ACM63675741
• Category: Thiophenes
• Molecular Weight: 270.3g/mol
• Molecular Formula: C16H14O2S
• Synonyms: 4-(6-Methoxy-1-Benzothiophen-2-Yl)Phenyl Methyl Ether; 6-Methoxy-2-(4-Methoxyphenyl)-1-Benzothiophene
• IUPAC Name: 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
• SMILES: COC1=CC=C(C=C1)C2=CC3=C(S2)C=C(C=C3)OC
• InChI: InChI=1S/C16H14O2S/c1-17-13-6-3-11(4-7-13)15-9-12-5-8-14(18-2)10-16(12)19-15/h3-10H,1-2H3
• InChI Key: HRWAGCVMOGWQJF-UHFFFAOYSA-N
• Boiling Point: 435.7 °C/760mmHg
• Melting Point: 191-197 °C(lit.)
• Flash Point: 217.3°C
• Density: 1.194 g/cm³ at 25 °C(lit.)
• Complexity: 289
• Covalently-Bonded Unit Count: 1
• EC Number: 264-408-2
• Exact Mass: 270.071451g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 19
• Monoisotopic Mass: 270.071451g/mol
• Rotatable Bond Count: 3
• XLogP3: 4.5

Synthetic Use

Downstream Synthesis Route 1

• 63675-74-1

• 84449-65-0

Reference: [1] Journal of Medicinal Chemistry, 1984, vol. 27, # 8, p. 1057 - 1066

Downstream Synthesis Route 2

• 63675-74-1
• 84449-80-9

• 82640-04-8

Reference: [1] Patent: US5478847, 1995, A,

Downstream Synthesis Route 3

• 63675-74-1
• 84449-80-9

• 82640-04-8

Reference: [1] Patent: US4380635, 1983, A,

Downstream Synthesis Route 4

• 14848-01-2
• 63675-74-1

• 133295-96-2

Reference: [1]Pinney, Kevin G.; Katzenellenbogen, John A.
[Journal of Organic Chemistry, 1991, vol. 56, # 9, p. 3125 - 3133]

Downstream Synthesis Route 5

• 2251-50-5
• 63675-74-1

• 133295-97-3

Reference: [1]Pinney, Kevin G.; Katzenellenbogen, John A.
[Journal of Organic Chemistry, 1991, vol. 56, # 9, p. 3125 - 3133]

Downstream Synthesis Route 6

• 122590-78-7
• 63675-74-1

• 133295-95-1

Reference: [1]Pinney, Kevin G.; Katzenellenbogen, John A.
[Journal of Organic Chemistry, 1991, vol. 56, # 9, p. 3125 - 3133]
[2]Current Patent Assignee: BAYLOR UNIVERSITY; ARIZONA BIOMEDICAL RESEARCH COMMISSION - US6350777, 2002, B2
Location in patent: Page column 23-24

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