3-Methoxythiophene

• CAS: 17573-92-1
• Catalog Number: ACM17573921
• Category: Thiophenes
• Molecular Weight: 114.17g/mol
• Molecular Formula: C5H6OS
• Synonyms: Thiophene, 3-methoxy-;3-methoxy-thiophene
• IUPAC Name: 3-methoxythiophene
• Canonical SMILES: COC1=CSC=C1
• InChI: InChI=1S/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1H3
• InChI Key: RFSKGCVUDQRZSD-UHFFFAOYSA-N
• Boiling Point: 80-82 °C/65mmHg
• Flash Point: 49 °C
• Density: 1.143 g/mL at 25 °C(lit.)
• Appearance: Colorless Clear Liquid
• Complexity: 56
• Covalently-Bonded Unit Count: 1
• EC Number: 479-350-5
• Exact Mass: 114.013936g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 7
• Monoisotopic Mass: 114.013936g/mol
• Rotatable Bond Count: 1
• XLogP3: 1.6

Synthetic Use

Upstream Synthesis Route 1

• 3140-93-0
• 124-41-4

• 16839-97-7
• 17573-92-1
• 114143-27-0

Reference: [1] Tetrahedron, 1992, vol. 48, # 17, p. 3633 - 3652
[2] Tetrahedron, 1992, vol. 48, # 17, p. 3633 - 3652

Upstream Synthesis Route 2

• 3140-93-0
• 124-41-4

• 188290-36-0
• 16839-97-7
• 17573-92-1
• 114143-27-0

Reference: [1] Tetrahedron, 1992, vol. 48, # 17, p. 3633 - 3652

Upstream Synthesis Route 3

• 872-31-1
• 124-41-4

• 17573-92-1

Reference: [1] Patent: US2008/71084, 2008, A1, . Location in patent: Page/Page column 4

Upstream Synthesis Route 4

• 872-31-1
• 124-41-4

• 17573-92-1

Reference: [1]Current Patent Assignee: CURIA INC - US2008/71084, 2008, A1
Location in patent: Page/Page column 4

Downstream Synthesis Route 1

• 17573-92-1

• 60166-83-8

Reference: [1]Gronowitz
[Arkiv foer Kemi, 1958, vol. 12, p. 239,243]

Downstream Synthesis Route 2

• 17573-92-1
• 108-24-7

• 51514-36-4

Reference: [1]Barker, John M.; Huddleston, Patrick R.; Khandelwal, Ghanshyam D.; Wood, Michael L.
[Journal of Chemical Research, Miniprint, 1991, # 9, p. 2333 - 2347]

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