8-(4-Chlorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene

Base Information

• Chemical Name: 8-(4-Chlorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene
• CAS No.: 126991-60-4
• Molecular Formula: C14H15ClO2
• Molecular Weight: 250.725
• DSSTox Substance ID: DTXSID60562250
• Wikidata: Q82446329
• Mol file: 126991-60-4.mol

Synonyms:126991-60-4;8-(4-Chlorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene;1,4-Dioxaspiro[4.5]dec-7-ene, 8-(4-chlorophenyl)-;8-(4-CHLORO-PHENYL)-1,4-DIOXA-SPIRO[4.5]DEC-7-ENE;SureCN13832397;SCHEMBL13832397;DTXSID60562250;AKOS015964092;1,4-Dioxaspiro[4.5]dec-7-ene,8-(4-chlorophenyl)-

Chemical Property of 8-(4-Chlorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene

Chemical Property:

• Vapor Pressure: 3.63E-05mmHg at 25°C
• Boiling Point: 364oC at 760 mmHg
• Flash Point: 141.7oC
• PSA: 18.46000
• Density: 1.24g/cm3
• LogP: 3.65040
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 250.0760574
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

98%min ^*data from raw suppliers

8-(4-Chlorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2(CC=C1C3=CC=C(C=C3)Cl)OCCO2
• Uses: 8-(4-Chlorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene (cas# 126991-60-4) is a compound useful in organic synthesis.

Technology Process of 8-(4-Chlorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene

There total 4 articles about 8-(4-Chlorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene 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: 93.0%

8-(4-chlorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol (126991-59-1) → 4-(4-chlorophenyl)cyclohex-3-enone monoehtylene ketal (126991-60-4)

Guidance literature:

With toluene-4-sulfonic acid; In ethylene glycol; toluene; at 110 ℃; for 6h;

Reference yield:

bromochlorobenzene (106-39-8) → 4-(4-chlorophenyl)cyclohex-3-enone monoehtylene ketal (126991-60-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: magnesium / tetrahydrofuran / Reflux

1.2: 20 °C / Reflux

2.1: pyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate / 0 - 80 °C

With pyridine; magnesium; 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate; In tetrahydrofuran;

DOI:10.1021/ja309262f

Reference yield:

cyclohexanedione monoethylene ketal (4746-97-8) → 4-(4-chlorophenyl)cyclohex-3-enone monoehtylene ketal (126991-60-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: magnesium / tetrahydrofuran / Reflux

1.2: 20 °C / Reflux

2.1: pyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate / 0 - 80 °C

With pyridine; magnesium; 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate; In tetrahydrofuran;

DOI:10.1021/ja309262f

upstream raw materials:

8-(4-chlorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol

cyclohexanedione monoethylene ketal

bromochlorobenzene

Downstream raw materials:

4-(4-chlorophenyl)cyclohexanone monoehtylene ketal

1-amino-4-(4-chloro-phenyl)-cyclohexanecarboxylic acid

8-(4-chloro-phenyl)-1,3-diaza-spiro[4.5]decane-2,4-dione

8-(4-chloro-phenyl)-2,4-dioxo-1,3-diaza-spiro[4.5]decane-1,3-dicarboxylic acid di-tert-butyl ester

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