1,3-Dicyclopropylpropane-1,3-dione

Base Information

• Chemical Name: 1,3-Dicyclopropylpropane-1,3-dione
• CAS No.: 30923-64-9
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2914299000
• European Community (EC) Number: 824-735-9
• DSSTox Substance ID: DTXSID40549261
• Wikidata: Q82428252
• Mol file: 30923-64-9.mol

Synonyms:1,3-dicyclopropylpropane-1,3-dione;30923-64-9;1,3-Propanedione, 1,3-dicyclopropyl-;SCHEMBL509262;DTXSID40549261;QSEFTOYPSHMMDG-UHFFFAOYSA-N;1,3-dicyclopropyl-l,3-propanedione;1,3-dicyclopropyl-1,3-propanedione;1,3-Dicyclopropyl-propane-1,3-dione;AKOS012623075;CS-0107083;EN300-70277;D76685;A911434;J-503899

Chemical Property of 1,3-Dicyclopropylpropane-1,3-dione

Chemical Property:

• Boiling Point: 252.7±13.0 °C(Predicted)
• PKA: 10.30±0.20(Predicted)
• PSA: 34.14000
• Density: 1.227±0.06 g/cm3(Predicted)
• LogP: 1.33470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

1,3-dicyclopropylpropane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)CC(=O)C2CC2

Technology Process of 1,3-Dicyclopropylpropane-1,3-dione

There total 4 articles about 1,3-Dicyclopropylpropane-1,3-dione 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: 99.0%

Cyclopropyl methyl ketone (765-43-5) + methyl cyclopropylcarboxylate (2868-37-3) → 1,3-dicyclopropylpropane-1,3-dione (30923-64-9)

Guidance literature:

Cyclopropyl methyl ketone; methyl cyclopropylcarboxylate; With ethanol; sodium hydride; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

With 18-crown-6 ether; at 40 ℃; for 3h;

Reference yield: 83.0%

→ 1,3-dicyclopropylpropane-1,3-dione (30923-64-9)

Guidance literature:

With potassium amide; In tetrahydrofuran; at 20 ℃; for 3.5h; Inert atmosphere;

Reference yield:

Cyclopropyl methyl ketone (765-43-5) + methyl cyclopropylcarboxylate (2868-37-3) → 1,3-dicyclopropyl-propane-1,3-dione + 1,3-dicyclopropylpropane-1,3-dione (30923-64-9)

Guidance literature:

Cyclopropyl methyl ketone; methyl cyclopropylcarboxylate; With sodium methylate; In dimethyl sulfoxide; at 55 ℃; for 8h;

With hydrogenchloride; In water; dimethyl sulfoxide; toluene;

upstream raw materials:

Cyclopropyl methyl ketone

ethyl cyclopropylcarboxylate

methyl cyclopropylcarboxylate

Downstream raw materials:

3,5-dicyclopropyl-1H-pyrazole

2-chloro-N-[4-(3,5-dicyclopropyl-1H-pyrazol-1-yl)phenyl]acetamide

4-(4-chloro-3,5-dicyclopropyl-1H-pyrazol-1-yl)-3-fluoroaniline

4-(3,5-dicyclopropyl-1H-pyrazol-1-yl)-3-fluoroaniline