8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol

Base Information

• Chemical Name: 8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol
• CAS No.: 66336-42-3
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• European Community (EC) Number: 843-060-0
• Mol file: 66336-42-3.mol

Synonyms:8-methyl-1,4-dioxaspiro[4.5]decan-8-ol;66336-42-3;8-Methyl-1,4-dioxaspiro[4,5]decan-8-ol;SCHEMBL606806;AAYZDXMYYIJKLR-UHFFFAOYSA-N;MFCD11108667;AKOS006306649;DS-7446;PB43243;DB-342106;8-methyl-1,4-dioxa-spiro[4.5]decan-8-ol;8-Methyl-1,4-dioxaspiro[4.5]decane-8-ol;CS-0187287;EN300-94346;F12589;A867481;8-Methyl-1 pound not4-dioxaspiro[4.5]decan-8-ol;Z1198312071

Chemical Property of 8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol

Chemical Property:

• Melting Point: 70-71 °C
• Boiling Point: 267.7±40.0 °C(Predicted)
• PKA: 15.18±0.20(Predicted)
• PSA: 38.69000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 1.05450
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CC1)OCCO2)O
• Uses: 8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol is used in preparation of pyrrolopyridine derivatives and related compounds as BCL-2 inhibitors for treating neoplastic, autoimmune or neurodegenerative diseases.

Technology Process of 8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol

There total 9 articles about 8-Methyl-1,4-dioxaspiro[4.5]decan-8-ol 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: 99.75%

cyclohexanedione monoethylene ketal (4746-97-8) + methylmagnesium bromide (75-16-1) → 8-methyl-1,4-dioxa-spiro[4.5]decan-8-ol (66336-42-3)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 4h; Inert atmosphere;

Reference yield: 99.0%

cyclohexanedione monoethylene ketal (4746-97-8) + methylmagnesium bromide (75-16-1) + methyllithium (917-54-4) → 8-methyl-1,4-dioxa-spiro[4.5]decan-8-ol (66336-42-3)

Guidance literature:

methylmagnesium bromide; methyllithium; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

cyclohexanedione monoethylene ketal; In tetrahydrofuran; at -78 ℃; for 1.5h; Inert atmosphere;

Reference yield: 91.0%

cyclohexanedione monoethylene ketal (4746-97-8) + methyllithium (917-54-4) → 8-methyl-1,4-dioxa-spiro[4.5]decan-8-ol (66336-42-3)

Guidance literature:

In diethyl ether; at -78 ℃; for 2h;

DOI:10.1139/v97-080

upstream raw materials:

cyclohexanedione monoethylene ketal

methyllithium

methyl magnesium iodide

methylmagnesium bromide

Downstream raw materials:

4-hydroxy-4-methylcyclohexanone

(1s,4s)-1-methylcyclohexane-1,4-diol

trans-4-Hydroxy-4-methylcyclohexyl acetate

trans-(4-Hydroxy-4-methylcyclohexyl)methyl acetate