2,2-Dipropyloxirane

Base Information

• Chemical Name: 2,2-Dipropyloxirane
• CAS No.: 98560-25-9
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 2910900090
• European Community (EC) Number: 963-444-2
• DSSTox Substance ID: DTXSID00539926
• Wikidata: Q82415751
• Mol file: 98560-25-9.mol

Synonyms:2,2-dipropyloxirane;98560-25-9;Oxirane, 2,2-dipropyl-;2,2-DIPROPYL-OXIRANE;SCHEMBL1710592;DTXSID00539926;YSJRGADMSFUEEA-UHFFFAOYSA-N;AKOS012067985;EN300-199259;G48404;Z1020680076

Chemical Property of 2,2-Dipropyloxirane

Chemical Property:

• PSA: 12.53000
• LogP: 2.35560
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 82.6

Purity/Quality:

99% ^*data from raw suppliers

2,2-DIPROPYL-OXIRANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1(CO1)CCC

Technology Process of 2,2-Dipropyloxirane

There total 7 articles about 2,2-Dipropyloxirane 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: 85.0%

4-heptanone (123-19-3) + trimethylsulfoxonium iodide (1774-47-6) → epoxy-1,2 propyl-2 pentane (98560-25-9)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 70 ℃; for 5h;

DOI:10.1021/jm00173a010

Reference yield: 75.0%

n-propylmagnesium bromide (927-77-5) + chloroacetic acid ethyl ester (105-39-5) → epoxy-1,2 propyl-2 pentane (98560-25-9)

Guidance literature:

With base;

DOI:10.1016/0022-328X(85)87207-7

Reference yield: 53.0%

2-propyl-1-pentene (15918-08-8) → epoxy-1,2 propyl-2 pentane (98560-25-9)

Guidance literature:

With dipotassium hydrogenphosphate; dihydrogen peroxide; trichloroacetonitrile; In dichloromethane; for 72h; pH 7-8;

upstream raw materials:

4-chloromethyl-heptan-4-ol

4-heptanone

trimethylsulfoxonium iodide

2-propyl-1-pentene

Downstream raw materials:

4,4-dipropylcyclohex-2-en-1-one

Methyltriphenylphosphonium bromide

(2-Hydroxy-2-propyl-pentyl)-triphenyl-phosphonium; bromide

2-propyl-1-pentene