Methyl cyclobut-1-ene-1-carboxylate

Base Information

• Chemical Name: Methyl cyclobut-1-ene-1-carboxylate
• CAS No.: 40628-41-9
• Molecular Formula: C6H8O2
• Molecular Weight: 112.128
• European Community (EC) Number: 853-696-0
• DSSTox Substance ID: DTXSID401346615
• Nikkaji Number: J89.369B
• Mol file: 40628-41-9.mol

Synonyms:40628-41-9;methyl cyclobut-1-ene-1-carboxylate;Methyl Cyclobutene-1-carboxylate;1-Cyclobutene-1-carboxylic acid methyl ester;cyclobutene-1-carboxylic acid methyl ester;SCHEMBL43992;methyl 1-cyclobutene carboxylate;methyl cyclobutene-1-car-boxylate;JMIOIWRHSVRPJX-UHFFFAOYSA-N;DTXSID401346615;methyl 1-cyclobutene-1-carboxylate;AKOS026713968;1-Cyclobutene-1-carboxylicacidmethylester;EN300-180070;P16819;F1967-2951

Chemical Property of Methyl cyclobut-1-ene-1-carboxylate

Chemical Property:

• Boiling Point: 42-43 °C(Press: 25 Torr)
• PSA: 26.30000
• Density: 1.122±0.06 g/cm3(Predicted)
• LogP: 0.87960
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 112.052429494
• Heavy Atom Count: 8
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CCC1

Technology Process of Methyl cyclobut-1-ene-1-carboxylate

There total 11 articles about Methyl cyclobut-1-ene-1-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: 100.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 1-cyclobutenecarboxylic acid (23519-90-6) → methyl cyclobut-1-enecarboxylate (40628-41-9)

Guidance literature:

In diethyl ether; at 0 ℃; for 0.5h;

DOI:10.1021/jm000961o

Reference yield: 85.0%

ethyl 1-bromocyclobutane-1-carboxylate (35120-18-4) + methyl iodide (74-88-4) → methyl cyclobut-1-enecarboxylate (40628-41-9)

Guidance literature:

ethyl 1-bromocyclobutane-1-carboxylate; With potassium hydroxide; In toluene; Heating;

methyl iodide; With N,N,N,N,N,N-hexamethylphosphoric triamide; In water; at 20 ℃; for 24h; Further stages.;

DOI:10.1021/ma012104f

Reference yield: 81.0%

N,N’-diisopropyl-O-methylisourea (54648-79-2) + 1-cyclobutenecarboxylic acid (23519-90-6) → methyl cyclobut-1-enecarboxylate (40628-41-9)

Guidance literature:

In diethyl ether; at 20 ℃; for 48h;

DOI:10.1021/jm000961o

upstream raw materials:

diazomethane

1-cyclobutenecarboxylic acid

methanol

methyl 2-cyclopropyl-2-diazoacetate

Downstream raw materials:

2-(2-Oxo-cyclohexyl)-cyclobutanecarboxylic acid methyl ester

cyclobutanemethanol

(1-cyclobutenyl)methyl alcohol

2-((1R,2S,5R)-5-Isopropyl-2-methyl-6-oxo-2-vinyl-cyclohexyl)-acrylic acid methyl ester