4-Pentynoic acid, 5-phenyl-

Base Information

• Chemical Name: 4-Pentynoic acid, 5-phenyl-
• CAS No.: 3350-92-3
• Molecular Formula: C11H10O2
• Molecular Weight: 174.199
• DSSTox Substance ID: DTXSID50450394
• Nikkaji Number: J682.084K
• Wikidata: Q82270090
• Mol file: 3350-92-3.mol

Synonyms:5-phenylpent-4-ynoic Acid;3350-92-3;5-Phenyl-4-pentynoic acid;SCHEMBL561059;DTXSID50450394;ZHCGPXAMIOKTJU-UHFFFAOYSA-N;AKOS017531438;EN300-8131116;Z1262510757

Chemical Property of 4-Pentynoic acid, 5-phenyl-

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CCCC(=O)O

Technology Process of 4-Pentynoic acid, 5-phenyl-

There total 22 articles about 4-Pentynoic acid, 5-phenyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

ethyl 5-phenyl-4-pentynoate (131529-87-8) → 5-phenylpent-4-ynoic acid (3350-92-3)

Guidance literature:

With sodium hydroxide; In methanol; water; at 100 ℃; for 1h;

DOI:10.1021/acs.orglett.8b00996

Reference yield: 94.0%

5-phenylpent-4-ynoic acid methyl ester (30780-51-9) → 5-phenylpent-4-ynoic acid (3350-92-3)

Guidance literature:

With sodium hydroxide; In methanol; water; at 20 ℃; for 2h;

DOI:10.1002/adsc.201801494

Reference yield: 91.0%

5-phenylpent-4-yn-1-ol (24595-58-2) → 5-phenylpent-4-ynoic acid (3350-92-3)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In acetone; at 5 - 20 ℃; for 4h;

DOI:10.1016/j.tet.2009.04.041

upstream raw materials:

(3-phenyl-prop-2-ynyl)-malonic acid

phenylacetylene

3-(4-phenyl-[1,2,3]selenadiazol-5-yl)-propionic acid

β-Propiolactone

Downstream raw materials:

1,6-diphenyl-3,4-dihydro-1H-pyridin-2-one

5-oxo-5-phenyl-valeric acid p-toluidide

C₁₇H₁₉NO₃

1,5-diphenyl-4-pentyn-1-one

Refernces

• 1、 Tan, Wen-Yun,Lu, Yi,Zhao, Jing-Feng,Chen, Wen,Zhang, Hongbin. "Oxidation of Primary Alcohols and Aldehydes to Carboxylic Acids via Hydrogen Atom Transfer". supporting information. p. 6648 - 6653. Retrieved 2021/09/08.
• 2、 Costello, Jeff P.,Ferreira, Eric M.. "Regioselectivity Influences in Platinum-Catalyzed Intramolecular Alkyne O-H and N-H Additions". supporting information. p. 9934 - 9939. Retrieved 2019/12/24.