Ethyl 4-ethynylbenzoate

• CAS: 10602-03-6
• Catalog Number: ACM10602036
• Category: Other Products
• Molecular Weight: 174.195900 [g/mol]
• Molecular Formula: C11H10O2
• Synonyms: Ethyl 4-Ethynylbenzoate, Benzoic acid, 4-ethynyl-, ethyl ester, 10602-03-6, Ethyl 4-ethynylbenzoate;, AGN-PC-00PLEE, CKAGLAFXBLZHAS-UHFFFAOYSA-, CTK0G4097, AKOS015888301, AG-A-75124, AK-83790, AM802882, AB1007699, I01-10442, InChI=1/C11H10O2/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h1,5-8H,4H2,2H3
• IUPAC Name: ethyl 4-ethynylbenzoate
• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)C#C
• InChI Key: CKAGLAFXBLZHAS-UHFFFAOYSA-N
• Boiling Point: 257.092ºC at 760 mmHg
• Flash Point: 100.987ºC
• Density: 1.088 g/cm³
• Exact Mass: 174.06800
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 150969-54-3

• 10602-03-6

Reference: [1]Chemistry - A European Journal,2011,vol. 17,p. 9320 - 9325

Downstream Synthesis Route 1

• 10602-03-6

• 7153-22-2

Reference: [1] European Journal of Organic Chemistry, 2016, vol. 2016, # 18, p. 3056 - 3059

Downstream Synthesis Route 2

• 10602-03-6

• 10602-00-3

Reference: [1] Dalton Transactions, 2009, # 44, p. 9794 - 9799
[2] Journal of Organic Chemistry, 1966, vol. 31, p. 2585 - 2593

Downstream Synthesis Route 3

• 10602-03-6

• 10602-04-7

Reference: [1] Journal of Organic Chemistry, 1966, vol. 31, p. 2585 - 2593

Downstream Synthesis Route 4

• 201230-82-2
• 615-43-0
• 10602-03-6

• 133286-11-0

Reference: [1]Tetrahedron Letters,1991,vol. 32,p. 237 - 240
[2]Tetrahedron,1993,vol. 49,p. 6773 - 6784

Downstream Synthesis Route 5

• 106-37-6
• 10602-03-6

• 217077-89-9

Reference: [1]Matsubara, Hiroshi; Shimura, Tomohiro; Hasegawa, Akio; Semba, Miki; Asano, Kaori; Yamamoto, Koji
[Chemistry Letters, 1998, # 11, p. 1099 - 1100]

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