5-(2-Thienyl)-1,3-cyclohexanedione

Base Information

• Chemical Name: 5-(2-Thienyl)-1,3-cyclohexanedione
• CAS No.: 23994-65-2
• Molecular Formula: C10H10O2S
• Molecular Weight: 194.254
• Hs Code.: 2934999090
• Mol file: 23994-65-2.mol

Synonyms:5-(2-Thienyl)-1,3-cyclohexanedione;5-thien-2-yl-cyclohexane-1,3-dione;5-(2-Thienyl)-cyclohexan-1,3-dion;5-(thiophen-2-yl)cyclohexane-1,3-dione;5-(2-Thienyl)cyclohexane-1,3-dione;5-thienyl-1,3-cyclohexanedione;5-thienylcyclohexane-1,3-dione;

Chemical Property of 5-(2-Thienyl)-1,3-cyclohexanedione

Chemical Property:

• PSA: 62.38000
• LogP: 2.15380

Purity/Quality:

98%min ^*data from raw suppliers

5-(2-Thienyl)cyclohexane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(2-Thienyl)-1,3-cyclohexanedione

There total 6 articles about 5-(2-Thienyl)-1,3-cyclohexanedione 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: 69.0%

2-thenylideneacetone (874-83-9) + diethyl malonate (105-53-3) → 5-(2-thienyl)cyclohexane-1,3-dione (23994-65-2)

Guidance literature:

2-thenylideneacetone; diethyl malonate; With sodium; In methanol; at 80 ℃; for 4h;

With sodium hydroxide; In methanol; water; at 80 ℃; for 0.666667h;

With hydrogenchloride; In methanol; water; Reflux;

Reference yield: 50.0%

(E)-4-(2-thienyl)but-3-en-2-one (874-83-9,33603-63-3) + diethyl malonate (105-53-3) → 5-(2-thienyl)cyclohexane-1,3-dione (23994-65-2)

Guidance literature:

diethyl malonate; With sodium ethanolate; In ethanol; at 20 ℃; for 0.833333h;

(E)-4-(2-thienyl)but-3-en-2-one; In ethanol; for 3.5h; Reflux;

DOI:10.1002/cmdc.201500525

Reference yield:

4-(3-thienyl)butan-3-en-2-one + diethyl malonate (105-53-3) → 5-(2-thienyl)cyclohexane-1,3-dione (23994-65-2)

Guidance literature:

diethyl malonate; With sodium ethanolate; In ethanol; at 0 - 20 ℃; for 0.5h;

4-(3-thienyl)butan-3-en-2-one; In ethanol; Further stages; Reflux;

DOI:10.1002/anie.202109464

upstream raw materials:

thiophene-2-carbaldehyde

2-thenylideneacetone

diethyl malonate

(E)-4-(2-thienyl)but-3-en-2-one

Downstream raw materials:

2-acetyl-5-(thiophen-2-yl)cyclohexane-1,3-dione

1-((4-cyanophenyl)(2-hydroxy-6-oxo-4-(thiophen-2-yl)cyclohex-1-enyl)methyl)-3-(3-(trifluoromethyl)phenyl)urea

Refernces

• 1、 Hansen, Stinne W.,Erichsen, Mette N.,Huynh, Tri H. V.,Ruiz, Josep A.,Haym, Isabell,Bj?rn-Yoshimoto, Walden E.,Abrahamsen, Bjarke,Hansen, Jeanette,Storgaard, Morten,Eriksen, Anette L.,Jensen, Anders A.,Bunch, Lennart. "New Insight into the Structure-Activity Relationships of the Selective Excitatory Amino Acid Transporter Subtype 1 (EAAT1) Inhibitors UCPH-101 and UCPH-102". . p. 382 - 402. Retrieved 2016/03/01.
• 2、 -. "PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES". . . Retrieved 2008/06/13.