1-Cyclobutene-1-carboxylic acid

Base Information

• Chemical Name: 1-Cyclobutene-1-carboxylic acid
• CAS No.: 23519-90-6
• Molecular Formula: C5H6O2
• Molecular Weight: 98.1014
• European Community (EC) Number: 848-740-0
• Nikkaji Number: J3.142.644H
• Mol file: 23519-90-6.mol

Synonyms:23519-90-6;1-CYCLOBUTENE-1-CARBOXYLIC ACID;cyclobut-1-ene-1-carboxylic acid;Cyclobut-1-enecarboxylic acid;Cyclobutene-1-carboxylic Acid;1-cyclobutenecarboxylic acid;1-Chycobutane carboxylic acid;MFCD13192488;Cyclobut-1-enecarboxylicacid;CXUKMALSQXRODE-UHFFFAOYSA-N;AKOS006377024;SY058132;BB 0262190;CS-0155456;EN300-124479;P16818;F8889-7863

Chemical Property of 1-Cyclobutene-1-carboxylic acid

Chemical Property:

• Melting Point: 72 °C(Solv: benzene (71-43-2))
• Boiling Point: 135-138 °C(Press: 110 Torr)
• PKA: 5.03±0.20(Predicted)
• PSA: 37.30000
• Density: 1.0610 g/cm3
• LogP: 0.79120
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 98.036779430
• Heavy Atom Count: 7
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

Cyclobut-1-enecarboxylicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=C1)C(=O)O

Technology Process of 1-Cyclobutene-1-carboxylic acid

There total 6 articles about 1-Cyclobutene-1-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: 72.0%

ethyl 1-bromocyclobutane-1-carboxylate (35120-18-4) → 1-cyclobutenecarboxylic acid (23519-90-6)

Guidance literature:

With potassium hydroxide; In toluene; for 1h; Reflux; Inert atmosphere;

DOI:10.1021/jo302308q

Reference yield: 42.0%

α-bromocyclobutanecarboxylic acid (32122-23-9) → 1-cyclobutenecarboxylic acid (23519-90-6)

Guidance literature:

With potassium hydroxide; In toluene; Reflux; Inert atmosphere;

DOI:10.1021/ja1037098

Reference yield:

1-bromocyclobutenecarboxylic acid ethyl ester → 1-cyclobutenecarboxylic acid (23519-90-6)

Guidance literature:

With potassium hydroxide; In water; toluene;

upstream raw materials:

α-bromocyclobutanecarboxylic acid

ethyl 1-bromocyclobutane-1-carboxylate

carbon dioxide

Cyclobutanecarboxylic acid

Downstream raw materials:

methyl cyclobut-1-enecarboxylate

trans-2-(benzoylthio)cyclobutanecarboxylic acid

cis-2-(benzoylthio)cyclobutanecarboxylic acid

succinic acid