1-Acetylazulene

Base Information

• Chemical Name: 1-Acetylazulene
• CAS No.: 7206-57-7
• Molecular Formula: C12H10O
• Molecular Weight: 170.211
• DSSTox Substance ID: DTXSID40876706
• Nikkaji Number: J834.956H
• Mol file: 7206-57-7.mol

Synonyms:1-Acetylazulene;7206-57-7;1-(Azulen-1-yl)ethanone;Acetylazulen;3-Acetylazulene;SCHEMBL3852134;ZHXBSSXNKXXLOK-UHFFFAOYSA-;DTXSID40876706;ZHXBSSXNKXXLOK-UHFFFAOYSA-N;InChI=1/C12H10O/c1-9(13)11-8-7-10-5-3-2-4-6-12(10)11/h2-8H,1H3

Chemical Property of 1-Acetylazulene

Chemical Property:

• PSA: 17.07000
• LogP: 2.99400
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.073164938
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C2C=CC=CC=C2C=C1

Technology Process of 1-Acetylazulene

There total 10 articles about 1-Acetylazulene 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: 49.0%

3-acetyl-2H-cycloheptafuran-2-one (22460-76-0) + acetaldehyde (75-07-0,9002-91-9) → 1-acetylazulene (7206-57-7)

Guidance literature:

With diethylamine; for 3h; Heating;

DOI:10.1002/jhet.5570330350

Reference yield: 37.0%

3-acetyl-2H-cycloheptafuran-2-one (22460-76-0) + 1,1-dimethoxyethane (534-15-6) → 1-acetylazulene (7206-57-7)

Guidance literature:

at 160 - 190 ℃;

Reference yield:

acetic anhydride (108-24-7) + azulene (275-51-4) → 1-acetylazulene (7206-57-7)

Guidance literature:

With dichloromethane; tin(IV) chloride;

DOI:10.1021/ja01116a030

upstream raw materials:

acetic anhydride

azulene

N,N-dimethyl acetamide

3-acetyl-2H-cycloheptafuran-2-one

Downstream raw materials:

1-(3-benzyl-azulen-1-yl)-ethanone

azulene-1-carboxylic acid methyl ester