2,4,6-Cycloheptatriene-1-carboxylic acid, 4-methoxy-, ethyl ester

Base Information

• Chemical Name: 2,4,6-Cycloheptatriene-1-carboxylic acid, 4-methoxy-, ethyl ester
• CAS No.: 850934-79-1
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID60479718
• Nikkaji Number: J1.708.855F

Synonyms:850934-79-1;2,4,6-Cycloheptatriene-1-carboxylic acid, 4-methoxy-, ethyl ester;DTXSID60479718

Chemical Property of 2,4,6-Cycloheptatriene-1-carboxylic acid, 4-methoxy-, ethyl ester

Chemical Property:

• PSA: 35.53000
• LogP: 1.82200
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 287

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C=CC=C(C=C1)OC

Technology Process of 2,4,6-Cycloheptatriene-1-carboxylic acid, 4-methoxy-, ethyl ester

There total 1 articles about 2,4,6-Cycloheptatriene-1-carboxylic acid, 4-methoxy-, ethyl ester 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:

diazoacetic acid ethyl ester (623-73-4) + dichloromethane (75-09-2) + methoxybenzene (100-66-3) → ethyl 2,3-dichloropropionate (6628-21-3) + ethyl 2-methoxy-2,4,6-cycloheptatriene-1-carboxylate (80865-81-2) + ethyl 3-methoxycyclohepta-1,3,5-triene-7-carboxylate (850934-79-1)

Guidance literature:

[HB(3,5-(CF₃)2Pz)3]^(1-) derivative; In dichloromethane; at 20 ℃;

DOI:10.1016/j.tetlet.2005.02.052

upstream raw materials:

diazoacetic acid ethyl ester

dichloromethane

methoxybenzene

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