1-Phenyl-4-penten-1-yne 97%

Base Information

• Chemical Name: 1-Phenyl-4-penten-1-yne 97%
• CAS No.: 4289-20-7
• Molecular Formula: C11H10
• Molecular Weight: 142.2
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID60408806
• Nikkaji Number: J462.313D
• Wikidata: Q82214405
• Mol file: 4289-20-7.mol

Synonyms:5-phenyl-1-penten-4-yne;1-Phenylpent-4-en-1-yne;5-Phenylpent-1-en-4-yne;1-PHENYL-4-PENTEN-1-YNE;pent-4-en-1-yn-1-ylbenzene;pent-4-en-1-ynyl-benzene;

Chemical Property of 1-Phenyl-4-penten-1-yne 97%

Chemical Property:

• PSA: 0.00000
• Density: 0.934 g/mL at 25 °C
• LogP: 2.61420
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 142.078250319
• Heavy Atom Count: 11
• Complexity: 171

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Phenyl-4-penten-1-yne 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCC#CC1=CC=CC=C1

Technology Process of 1-Phenyl-4-penten-1-yne 97%

There total 63 articles about 1-Phenyl-4-penten-1-yne 97% 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: 100.0%

allyl bromide (106-95-6) + phenylacetylene (536-74-3) → 1-phenyl-4-penten-1-yne (4289-20-7)

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h; further reagents, further solvent, further temperature;

DOI:10.1007/BF01557520

Reference yield: 99.0%

phenylacetylene (536-74-3) + 3-chloroprop-1-ene (107-05-1) → 1-phenyl-4-penten-1-yne (4289-20-7)

Guidance literature:

With copper(l) iodide; potassium carbonate; sodium iodide; In acetone; at 45 ℃; for 4h; further reagents, further solvent, further temperature;

DOI:10.1007/BF01557520

Reference yield: 95.0%

Allyl acetate (591-87-7) + phenylpropyolic acid (637-44-5) → 1-phenyl-4-penten-1-yne (4289-20-7)

Guidance literature:

With Ni⁽¹⁺⁾*2C₂H₃O₂^(1-)*4H₂O; silver(I) acetate; 1,4-di(diphenylphosphino)-butane; zinc; In dimethyl sulfoxide; at 100 ℃; for 0.5h; Reagent/catalyst; Solvent; Temperature; Time;

DOI:10.1016/j.tetlet.2012.10.005

upstream raw materials:

phenylethynylmagnesium bromide

allyl bromide

phenylacetylene

3-chloroprop-1-ene

Downstream raw materials:

2-(3-phenyl-2-propynyl)ethylene oxide

6-Allyl-7-methoxy-2-methyl-5-phenyl-benzofuran-4-ol

(4S,5S)-5-Allyl-2-methyl-4-phenyl-4,5-dihydro-cyclopenta[b]furan-6-one

(4S,5R)-5-Allyl-2-methyl-4-phenyl-4,5-dihydro-cyclopenta[b]furan-6-one

Refernces

• 1、 Khairallah, George N.,Williams, Craig M.,Chow, Sharon,O'Hair, Richard A. J.. "Sp-sp3 Coupling reactions of alkynylsilver cations, RC≡CAg2+ (R = Me and Ph) with allyliodide". . p. 9462 - 9467. Retrieved 2013.
• 2、 Reddy, Parigi Raghavendar,Cui, Lianji,Ryu, Jae-Sang. "One-pot three component synthesis of 5-allyl-1,2,3-triazoles using copper(i) acetylides". . p. 2759 - 2767. Retrieved 2018.
• 3、 Li, Jincan,Li, Wanfang,Yu, Shun,Zhao, Yu. "Nickel-Catalyzed Allylmethylation of Alkynes with Allylic Alcohols and AlMe3: Facile Access to Skipped Dienes and Trienes". supporting information. p. 14404 - 14408. Retrieved 2020/07/04.
• 4、 Bai, Songlin,Gao, Yadong,Jiang, Chao,Liu, Xiaolei,Qi, Xiangbing,Wang, Jing,Wu, Qingcui,Yang, Chao. "Visible-Light-Induced Nickel-Catalyzed Cross-Coupling with Alkylzirconocenes from Unactivated Alkenes". supporting information. p. 675 - 688. Retrieved 2020/03/11.