Benzene, 1-(1,3-butadiynyl)-3-methyl- (9CI)

Base Information

• Chemical Name: Benzene, 1-(1,3-butadiynyl)-3-methyl- (9CI)
• CAS No.: 38177-85-4
• Molecular Formula: C11H8
• Molecular Weight: 140.185
• Hs Code.: 2902909090
• Mol file: 38177-85-4.mol

Synonyms:Benzene, 1-(1,3-butadiynyl)-3-methyl- (9CI)

Chemical Property of Benzene, 1-(1,3-butadiynyl)-3-methyl- (9CI)

Chemical Property:

• PSA: 0.00000
• LogP: 1.97970

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzene, 1-(1,3-butadiynyl)-3-methyl- (9CI)

There total 16 articles about Benzene, 1-(1,3-butadiynyl)-3-methyl- (9CI) 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%

1-methyl-4-[4-(trimethylsilyl)-1,3-butadiyn-1-yl]benzene (130248-74-7) → 1-(buta-1,3-diyn-1-yl)-4-methylbenzene (38177-85-4)

Guidance literature:

With methanol; potassium carbonate; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/ja5004747

Reference yield: 75.0%

5-Hydroxy-5-methyl-1-(4-methylphenyl)hexa-1,3-diyne (117635-51-5) → 1-(buta-1,3-diyn-1-yl)-4-methylbenzene (38177-85-4)

Guidance literature:

With potassium hydroxide; In benzene; at 75 ℃;

DOI:10.1021/acs.joc.8b02916

Reference yield: 65.0%

1-(4,4-dibromobut-3-en-1-ynyl)-4-methylbenzene (919087-42-6) → 1-(buta-1,3-diyn-1-yl)-4-methylbenzene (38177-85-4)

Guidance literature:

With Succinimide; potassium carbonate; In dimethyl sulfoxide; at 90 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.tetlet.2021.153051

upstream raw materials:

ethyl 5-(4-methylphenyl)-3-oxo-2-triphenylphosphoranylidenepent-4-ynoate

1-(4-methylphenyl)butan-1,3-dione

5-(4-tolyl)penta-2,4-diyn-1-ol

4-tolyl iodide

Downstream raw materials:

1,8-di(p-tolyl)-1,3,5,7-octatetrayne

C₂₃H₃₇ClP₂Pd

1-methyl-4-(6,6,6-trifluorohexa-1,3-diyn-1-yl)benzene

(E)-5-phenyl-2-(p-tolylethynyl)-N-tosylpent-2-en-4-ynamide

Refernces

• 1、 Govdi, Anastasia I.,Danilkina, Natalia A.,Ponomarev, Alexander V.,Balova, Irina A.. "1-Iodobuta-1,3-diynes in Copper-Catalyzed Azide-Alkyne Cycloaddition: A One-Step Route to 4-Ethynyl-5-iodo-1,2,3-triazoles". . . Retrieved 2019/02/14.
• 2、 Zheng, Jian,Chen, Qing-Yun,Sun, Ke,Huang, Yangen,Guo, Yong. "Syntheses of trifluoroethylated unsymmetrical 1,3-diynes by using 1,1-dichloro-2,2,2-trifluoroethane". supporting information. p. 5757 - 5760. Retrieved 2016/12/06.