Benzoic acid,4-ethynyl-,methyl ester

• CAS: 3034-86-4
• Catalog Number: ACM3034864
• Category: Other Products
• Molecular Weight: 160.16932
• Molecular Formula: C₁₀H₈O₂
• Synonyms: methyl 4-ethynylbenzoate, 3034-86-4, 4-Ethynylbenzoic acid methyl ester, 4-(Methoxycarbonyl)phenylacetylene, AG-E-99894, benzoic acid, 4-ethynyl-, methyl ester, AC1LD02W, CTK4G5015, MolPort-008-155-399, 4-Ethynyl benzoic acid methylester, ACT03047, ANW-45106, SBB068914, ZINC32299174, AKOS005255442, AB04259, AG-L-63992, Benzoic acid,4-ethynyl-, methyl ester, LS10765, AK-88481
• IUPAC Name: methyl 4-ethynylbenzoate
• Canonical SMILES: COC(=O)C1=CC=C(C=C1)C#C
• InChI Key: JPGRSTBIEYGVNO-UHFFFAOYSA-N
• Boiling Point: 239.4ºC at 760 mmHg
• Flash Point: 92ºC
• Density: 1.11g/cm³
• Exact Mass: 160.05200
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 61266-36-2

• 3034-86-4

Reference: [1]Synthesis,1984,vol. NO. 9,p. 728 - 729
[2]Doklady Chemistry,1985,vol. 283,p. 212 - 214
Dokl. Akad. Nauk SSSR Ser. Khim.,1985,vol. 283,p. 630 - 633

Upstream Synthesis Route 2

• 75867-41-3

• 3034-86-4

Reference: [1]Current Patent Assignee: BOHAI WATER INDUSTRY CO., LTD. - EP3750881, 2020, A1
Location in patent: Paragraph 0195; 0204-0205; 0307; 0310-0311

Downstream Synthesis Route 1

• 67-56-1
• 3034-86-4

• 52787-14-1

Reference: [1] Angewandte Chemie - International Edition, 2013, vol. 52, # 38, p. 10023 - 10026[2] Angew. Chem., 2013, vol. 125, # 38, p. 10207 - 10210,4

Downstream Synthesis Route 2

• 3034-86-4

• 16819-43-5

Reference: [1] Journal of Materials Chemistry, 2005, vol. 15, # 6, p. 690 - 697

Downstream Synthesis Route 3

• 3034-86-4

• 10602-00-3

Reference: [1] Patent: WO2014/82286, 2014, A1, . Location in patent: Paragraph 67

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