Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate

Base Information

• Chemical Name: Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate
• CAS No.: 6974-84-1
• Molecular Formula: C12H22 O3
• Molecular Weight: 214.305
• NSC Number: 22003
• DSSTox Substance ID: DTXSID901009101

Synonyms:ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate;6974-84-1;NSC22003;9003-47-8;DTXSID901009101;NSC-22003

Chemical Property of Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.0326mmHg at 25°C
• Boiling Point: 243.2°Cat760mmHg
• Flash Point: 95°C
• Density: 0.963g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 214.15689456
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1(C(O1)(C)C)C(=O)OCC

Technology Process of Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate

There total 1 articles about Ethyl 3,3-dimethyl-2-pentyloxirane-2-carboxylate 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:

acetone (67-64-1) → 2,3-epoxy-3-methyl-2-pentyl-butyric acid ethyl ester (6974-84-1)

Guidance literature:

With potassium tert-butylate; tert-butyl alcohol;

DOI:10.1021/ja01629a103

Reference yield:

2,3-epoxy-3-methyl-2-pentyl-butyric acid ethyl ester (6974-84-1) → 2-methyloctan-3-one (923-28-4)

Guidance literature:

With ethanol; sodium ethanolate; Versetzen mit Wasser (1 Mol) und Erhitzen des nach dem Ansaeuern erhaltenen Reaktionsprodukts;

DOI:10.1021/ja01629a103

upstream raw materials:

acetone

Downstream raw materials:

2-methyloctan-3-one

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