1-Oxaspiro(4.5)dec-3-en-2-one, 4-(4-chlorobenzoyl)-3-methyl-

Base Information

• Chemical Name: 1-Oxaspiro(4.5)dec-3-en-2-one, 4-(4-chlorobenzoyl)-3-methyl-
• CAS No.: 86560-08-9
• Molecular Formula: C₁₇H₁₇ClO₃
• Molecular Weight: 304.773
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID10235664
• Wikidata: Q83117551
• Mol file: 86560-08-9.mol

Synonyms:BRN 5090069;1-Oxaspiro(4.5)dec-3-en-2-one, 4-(4-chlorobenzoyl)-3-methyl-;86560-08-9;4-(4-Chlorobenzoyl)-3-methyl-1-oxaspiro(4.5)dec-3-en-2-one;4-Chlorobenzoyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4 [French];4-Chlorobenzoyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4;DTXSID10235664;LS-99597

Chemical Property of 1-Oxaspiro(4.5)dec-3-en-2-one, 4-(4-chlorobenzoyl)-3-methyl-

Chemical Property:

• Vapor Pressure: 1.67E-09mmHg at 25°C
• Boiling Point: 483.5°C at 760 mmHg
• Flash Point: 193.3°C
• PSA: 43.37000
• Density: 1.28g/cm³
• LogP: 4.09890
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 304.0866221
• Heavy Atom Count: 21
• Complexity: 480

Purity/Quality:

1-OXASPIRO(4.5)DEC-3-EN-2-ONE, 4-(4-CHLOROBENZOYL)-3-METHYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2(CCCCC2)OC1=O)C(=O)C3=CC=C(C=C3)Cl

Technology Process of 1-Oxaspiro(4.5)dec-3-en-2-one, 4-(4-chlorobenzoyl)-3-methyl-

There total 1 articles about 1-Oxaspiro(4.5)dec-3-en-2-one, 4-(4-chlorobenzoyl)-3-methyl- 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: 8.0%

3-methyl-2-oxo-1-oxa-spiro[4.5]dec-3-ene-4-carbonyl chloride (58887-89-1) + chlorobenzene (108-90-7) → 4-(4-Chloro-benzoyl)-3-methyl-1-oxa-spiro[4.5]dec-3-en-2-one (86560-08-9) + 4-(2-Chloro-benzoyl)-3-methyl-1-oxa-spiro[4.5]dec-3-en-2-one (86560-09-0)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; Ambient temperature;

Reference yield:

4-(4-Chloro-benzoyl)-3-methyl-1-oxa-spiro[4.5]dec-3-en-2-one (86560-08-9) → 4-[(4-Chloro-phenyl)-hydroxy-methyl]-3-methyl-1-oxa-spiro[4.5]dec-3-en-2-one (86560-17-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; Yield given;

upstream raw materials:

3-methyl-2-oxo-1-oxa-spiro[4.5]dec-3-ene-4-carbonyl chloride

chlorobenzene

Downstream raw materials:

4-[(4-Chloro-phenyl)-hydroxy-methyl]-3-methyl-1-oxa-spiro[4.5]dec-3-en-2-one

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