1,4-Cyclohexadiene-1-carboxylicacid,ethylester(9CI)

Base Information

• Chemical Name: 1,4-Cyclohexadiene-1-carboxylicacid,ethylester(9CI)
• CAS No.: 72431-21-1
• Molecular Formula: C9H12 O2
• Molecular Weight: 152.19
• Mol file: 72431-21-1.mol

Synonyms:1,4-Cyclohexadiene-1-carboxylicacid,ethylester(9CI)

Chemical Property of 1,4-Cyclohexadiene-1-carboxylicacid,ethylester(9CI)

Chemical Property:

• PSA: 26.30000
• LogP: 1.82590
• Solubility.: Dichloromethane, Methanol

Purity/Quality:

98%Min ^*data from raw suppliers

1,4-Cyclohexadiene-1-carboxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediate in the preparation of D,L-Gabaculine.

Technology Process of 1,4-Cyclohexadiene-1-carboxylicacid,ethylester(9CI)

There total 3 articles about 1,4-Cyclohexadiene-1-carboxylicacid,ethylester(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: 85.0%

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + propynoic acid ethyl ester (623-47-2) → ethyl 1,4-cyclohexadiene-1-carboxylate (72431-21-1)

Guidance literature:

With hydroquinone; at -78 - 110 ℃; Sealed tube; Neat (no solvent);

DOI:10.1002/cjoc.201190025

Reference yield:

ethanol (64-17-5) + cyclohexa-1,4-diene-1-carboxylic acid (4315-35-9) → ethyl 1,4-cyclohexadiene-1-carboxylate (72431-21-1)

Guidance literature:

Acidic conditions; Inert atmosphere;

DOI:10.1021/ol4024979

Reference yield:

1-(morpholin-4-yl)prop-2-yn-1-one (72431-18-6) + triethyloxonium fluoroborate (368-39-8) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → ethyl 1,4-cyclohexadiene-1-carboxylate (72431-21-1)

Guidance literature:

Multistep reaction; (i) CH₂Cl₂, (ii) /BRN= 605258/;

upstream raw materials:

1-(morpholin-4-yl)prop-2-yn-1-one

triethyloxonium fluoroborate

buta-1,3-diene

propynoic acid ethyl ester

Downstream raw materials:

C₁₁H₁₅NO₄

C₁₀H₁₂INO₃

C₁₀H₁₂INO₃

C₁₃H₁₉NO₄

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