3-Ethyloxetane-3-carboxylic acid

Base Information

• Chemical Name: 3-Ethyloxetane-3-carboxylic acid
• CAS No.: 28562-61-0
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• Hs Code.: 2932999099
• European Community (EC) Number: 831-490-1
• DSSTox Substance ID: DTXSID70554641
• Nikkaji Number: J1.807.680B
• Wikidata: Q72476446
• Mol file: 28562-61-0.mol

Synonyms:3-ethyloxetane-3-carboxylic acid;28562-61-0;3-Oxetanecarboxylic acid, 3-ethyl-;MFCD12024538;3-Ethyloxetane-3-carboxylicacid;SCHEMBL353800;3-Ethyloxetane-3-carboxyl...;DTXSID70554641;3-ethyl-oxetane-3-carboxylic acid;AKOS006383578;PB23960;AS-32677;SY042118;AM20020029;CS-0051378;EN300-102401;A819489;J-512432;Z1205656653

Chemical Property of 3-Ethyloxetane-3-carboxylic acid

Chemical Property:

• Melting Point: 25℃
• Boiling Point: 237℃
• PKA: 3.94±0.20(Predicted)
• Flash Point: 100℃
• PSA: 46.53000
• Density: 1.180
• LogP: 0.49760
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

3-Ethyloxetane-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(COC1)C(=O)O

Technology Process of 3-Ethyloxetane-3-carboxylic acid

There total 2 articles about 3-Ethyloxetane-3-carboxylic acid 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: 86.0%

3-ethyl-3-(hydroxymethyl)oxetane (3047-32-3) → 3-ethyloxetane-3-carboxylic acid (28562-61-0)

Guidance literature:

With Jones reagent; In acetone; at -5 - 25 ℃; for 6h;

DOI:10.1002/pola.25053

Reference yield:

→ 3-ethyloxetane-3-carboxylic acid (28562-61-0)

Guidance literature:

Reference yield: 60.0%

3-ethyloxetane-3-carboxylic acid (28562-61-0) + cyclohexyltrifluoro-λ4-borane potassium salt (446065-11-8) → cyclohexyl(3-ethyloxetan-3-yl)methanone

Guidance literature:

With Ir(dF(CF₃)ppy)2(bpy)PF₆; tetraaqua[4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]nickel(II) chloride; ammonium chloride; dimethyl dicarbonate; In tetrahydrofuran; Isopropyl acetate; at 24 ℃; for 24h; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.7b01588

upstream raw materials:

3-ethyl-3-(hydroxymethyl)oxetane

Downstream raw materials:

C₁₉H₂₁FN₂O₄S

benzyl N-(3-ethyloxetan-3-yl)carbamate