1-Methoxycarbonyl-3-ethyl-6-isopropylazulene

Base Information

• Chemical Name: 1-Methoxycarbonyl-3-ethyl-6-isopropylazulene
• CAS No.: 116644-62-3
• Molecular Formula: C₁₇H₂₀O₂
• Molecular Weight: 256.345
• DSSTox Substance ID: DTXSID10561192
• Nikkaji Number: J410.733K
• Mol file: 116644-62-3.mol

Synonyms:116644-62-3;methyl 3-ethyl-6-propan-2-ylazulene-1-carboxylate;3-Ethyl-6-(1-methylethyl)-1-azulenecarboxylic acid methyl ester;1-methoxycarbonyl-3-ethyl-6-isopropylazulene;SCHEMBL10414062;DTXSID10561192;RKXDBBSILRGMLE-UHFFFAOYSA-N;Methyl 3-ethyl-6-(propan-2-yl)azulene-1-carboxylate

Chemical Property of 1-Methoxycarbonyl-3-ethyl-6-isopropylazulene

Chemical Property:

• PSA: 26.30000
• LogP: 4.26380
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 256.146329876
• Heavy Atom Count: 19
• Complexity: 310

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C2C=CC(=CC=C2C(=C1)C(=O)OC)C(C)C

Technology Process of 1-Methoxycarbonyl-3-ethyl-6-isopropylazulene

There total 2 articles about 1-Methoxycarbonyl-3-ethyl-6-isopropylazulene 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: 96.8%

methyl 6-isopropyl-2-oxo-2H-cycloheptafuran-3-carboxylate (106021-18-5) + butyraldehyde (123-72-8) → methyl 3-ethyl-6-isopropylazulene-1-carboxylate (116644-62-3)

Guidance literature:

With morpholine; In ethanol; for 4h; Heating;

DOI:10.1248/cpb.38.3355

Reference yield:

morpholine (110-91-8,99108-56-2) + methyl 6-isopropyl-2-oxo-2H-cycloheptafuran-3-carboxylate (106021-18-5) + butyraldehyde (123-72-8) → methyl 3-ethyl-6-isopropylazulene-1-carboxylate (116644-62-3)

Guidance literature:

With hydrogenchloride; In ethanol; water; benzene;

upstream raw materials:

methyl 6-isopropyl-2-oxo-2H-cycloheptafuran-3-carboxylate

butyraldehyde

morpholine

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