11-Acetyl-3,9-dioxa-benzo[1,2]cyclononene

Base Information

• Chemical Name: 11-Acetyl-3,9-dioxa-benzo[1,2]cyclononene
• CAS No.: 108950-25-0
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.268
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20910935
• Wikidata: Q82880967
• Mol file: 108950-25-0.mol

Synonyms:11-Acetyl-3,9-dioxa-benzo[1,2]cyclononene;108950-25-0;1-(3,4,5,6-tetrahydro-2H-1,7-benzodioxonin-9-yl)ethanone;DTXSID20910935;1-(3,4,5,6-tetrahydro-2h-1,7-benzodioxonin-10-yl)ethanone;1-(3,4,5,6-Tetrahydro-2H-1,7-benzodioxonin-9-yl)ethan-1-one

Chemical Property of 11-Acetyl-3,9-dioxa-benzo[1,2]cyclononene

Chemical Property:

• PSA: 35.53000
• LogP: 2.83070
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

98% ^*data from raw suppliers

11-ACETYL-3,9-DIOXA-BENZO[1,2]CYCLONONENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1)OCCCCCO2

Technology Process of 11-Acetyl-3,9-dioxa-benzo[1,2]cyclononene

There total 2 articles about 11-Acetyl-3,9-dioxa-benzo[1,2]cyclononene 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: 71.0%

acetyl chloride (75-36-5) + 3,4,5,6-tetrahydro-2H-benzo<1,4>dioxonin (7124-99-4) → 11-Acetyl-3,9-dioxa-benzo<1,2>cyclononen (108950-25-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1007/BF00768387

Reference yield:

→ 11-Acetyl-3,9-dioxa-benzo<1,2>cyclononen (108950-25-0)

Guidance literature:

3,9-Dioxa-benzo<1,2>cyclononen, Acetylchlorid ;

Reference yield: 78.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 11-Acetyl-3,9-dioxa-benzo<1,2>cyclononen (108950-25-0) + N,N-dimethylammonium chloride (506-59-2) → 3-Dimethylamino-1-(7,8,9,10-tetrahydro-6H-5,11-dioxa-benzocyclononen-2-yl)-propan-1-one; hydrochloride (132391-59-4)

Guidance literature:

With hydrogenchloride; In ethanol; for 10h; Heating;

DOI:10.1007/BF00768387

upstream raw materials:

acetyl chloride

3,4,5,6-tetrahydro-2H-benzo<1,4>dioxonin

Downstream raw materials:

3-Dimethylamino-1-(7,8,9,10-tetrahydro-6H-5,11-dioxa-benzocyclononen-2-yl)-propan-1-one; hydrochloride

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