3,5-DIETHYNYL-BENZOIC ACID

Base Information

• Chemical Name: 3,5-DIETHYNYL-BENZOIC ACID
• CAS No.: 883106-26-1
• Molecular Formula: C11H6 O2
• Molecular Weight: 170.167
• Hs Code.: 2916399090
• Mol file: 883106-26-1.mol

Synonyms:3,5-DIETHYNYL-BENZOIC ACID

Chemical Property of 3,5-DIETHYNYL-BENZOIC ACID

Chemical Property:

• Boiling Point: 355.0±37.0 °C(Predicted)
• PKA: 3.78±0.10(Predicted)
• PSA: 37.30000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 1.34740
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3,5-DiethynylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,5-DIETHYNYL-BENZOIC ACID

There total 9 articles about 3,5-DIETHYNYL-BENZOIC ACID 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: 88.0%

ethyl 3,5-bis[(trimethylsilyl)ethynyl]benzoate (437707-58-9) → 3,5-diethynyl-benzoic acid (883106-26-1)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 48h;

DOI:10.1021/ja012458m

Reference yield: 59.0%

ethyl 3,5-bis(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate (1448422-96-5) → 3,5-diethynyl-benzoic acid (883106-26-1)

Guidance literature:

With potassium hydroxide; In isopropyl alcohol; at 90 ℃; for 4h;

DOI:10.1039/c5md00427f

Reference yield: 58.0%

methyl 3,5-bis((trimethylsilyl)ethynyl)benzoate → 3,5-diethynyl-benzoic acid (883106-26-1)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; at 20 ℃; for 18h;

DOI:10.1039/c9cc04022f

upstream raw materials:

ethyl 3,5-diethynylbenzoate

ethyl 3,5-bis[(trimethylsilyl)ethynyl]benzoate

3,5-dibromobenzoic acid ethyl ester

3,5-dibromobenzoic acid

Downstream raw materials:

2-[2-(2-methoxyethoxy)ethoxy]ethyl 3,5-biethynylbenzoate

Refernces

• 1、 Jin, Yi,Watkins, Derrick,Degtyareva, Natalya N.,Green, Keith D.,Spano, Meredith N.,Garneau-Tsodikova, Sylvie,Arya, Dev P.. "Arginine-linked neomycin B dimers: Synthesis, rRNA binding, and resistance enzyme activity". . p. 164 - 169. Retrieved 2016/01/30.
• 2、 Tobe, Yoshito,Utsumi, Naoto,Kawabata, Kazuya,Nagano, Atsushi,Adachi, Kiyomi,Araki, Shunji,Sonoda, Motohiro,Hirose, Keiji,Naemura, Koichiro. "m-Diethynylbenzene macrocycles: Syntheses and self-association behavior in solution". . p. 5350 - 5364. Retrieved 2007/10/03.