3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1H-indole

Base Information

• Chemical Name: 3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1H-indole
• CAS No.: 143165-32-6
• Molecular Formula: C16H17NO2
• Molecular Weight: 255.316
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50377173
• Nikkaji Number: J1.547.523D
• Wikidata: Q82166275
• Mol file: 143165-32-6.mol

Synonyms:3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1H-indole;143165-32-6;3-{1,4-dioxaspiro[4.5]dec-7-en-8-yl}-1H-indole;SCHEMBL6634925;DTXSID50377173;BOSKLOMTRITQHA-UHFFFAOYSA-N;MFCD06411611;AKOS005070327;CS-0318529;3Y-0246;4-(1H-3-indolyl)-3-cyclohexenone ethylene ketal;J-510417;3-(1,4-Dioxa-spiro[4,5]dec-7-en-8-yl)-1H-indole;3-(1,4-Dioxa-spiro[4.5]dec-7-en-8-yl)-1H-indole;3-(1,4-Dioxaspiro[4.5]deca-7-ene-8-yl)-1H-indole

Chemical Property of 3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1H-indole

Chemical Property:

• Melting Point: 194-196
• Boiling Point: 458.1±45.0 °C(Predicted)
• PKA: 17.09±0.30(Predicted)
• PSA: 34.25000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 3.47830
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 255.125928785
• Heavy Atom Count: 19
• Complexity: 373

Purity/Quality:

98%min ^*data from raw suppliers

3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1H-indole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2(CC=C1C3=CNC4=CC=CC=C43)OCCO2

Technology Process of 3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1H-indole

There total 2 articles about 3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1H-indole 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%

indole (120-72-9) + cyclohexanedione monoethylene ketal (4746-97-8) → 4-(1H-indol-3-yl)cyclohex-3-enone, ethylene ketal (143165-32-6)

Guidance literature:

With potassium hydroxide; In methanol; for 18h; Heating;

DOI:10.1021/jm960597m

Reference yield:

pyrrolidine (123-75-1) + indole (120-72-9) + cyclohexanedione monoethylene ketal (4746-97-8) → 4-(1H-indol-3-yl)cyclohex-3-enone, ethylene ketal (143165-32-6)

Guidance literature:

In ethanol;

Reference yield: 83.0%

4-(1H-indol-3-yl)cyclohex-3-enone, ethylene ketal (143165-32-6) → 4-(1H-indol-3-yl)-cyclohexanone (127561-33-5)

Guidance literature:

4-(1H-indol-3-yl)cyclohex-3-enone, ethylene ketal; With hydrogen; 5% palladium over charcoal; In tetrahydrofuran; at 20 ℃;

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 12h;

upstream raw materials:

indole

cyclohexanedione monoethylene ketal

pyrrolidine

Downstream raw materials:

4-(1H-indol-3-yl)-cyclohexanone

3-(4-Methoxymethylene-cyclohexyl)-1H-indole

[4-(1H-indol-3-yl)cyclohexylidene]acetic acid ethyl ester

[4-(1H-Indol-3-yl)-cyclohexyl]-acetic acid ethyl ester