Cyclobutanecarboxylic acid

Base Information

• Chemical Name: Cyclobutanecarboxylic acid
• CAS No.: 3721-95-7
• Molecular Formula: C5H8O2
• Molecular Weight: 100.117
• Hs Code.: 29162000
• European Community (EC) Number: 223-072-7
• NSC Number: 4535
• UNII: 0RDJ7C51O0
• DSSTox Substance ID: DTXSID3057725
• Nikkaji Number: J67.761B
• Wikidata: Q27237141
• ChEMBL ID: CHEMBL3560137
• Mol file: 3721-95-7.mol

Synonyms:CYCLOBUTANECARBOXYLIC ACID;3721-95-7;Cyclobutylcarboxylic acid;Cyclo-butyl formic acid;cyclobutane carboxylic acid;MFCD00001323;NSC 4535;EINECS 223-072-7;BRN 1816777;UNII-0RDJ7C51O0;0RDJ7C51O0;DTXSID3057725;NSC-4535;4-09-00-00006 (Beilstein Handbook Reference);cyclobutan carboxylic acid;cyclobutyl carboxylic acid;cyclobutancarbonsäure;4-cyclobutanecarboxylic acid;SCHEMBL17470;cyclobutane-1-carboxylic acid;CYCLOBUTANECARBOXYLICACID;CHEMBL3560137;DTXCID4031514;Cyclobutanecarboxylic acid, 98%;NSC4535;Tox21_113791;STK802616;AKOS000119716;AM62800;CS-W011325;GS-3206;SB40646;NCGC00253667-01;AC-27351;LS-55843;CAS-3721-95-7;FT-0624149;EN300-19025;AJ-190/40848564;SR-01000945129;SR-01000945129-1;W-106559;Q27237141;F2191-0054;Z104472264

Chemical Property of Cyclobutanecarboxylic acid

Chemical Property:

• Appearance/Colour: Clear colourless to slightly amber liquid
• Vapor Pressure: 0.182mmHg at 25°C
• Melting Point: -7.5 ºC(lit.)
• Refractive Index: n20/D 1.444(lit.)
• Boiling Point: 195.3 ºC at 760 mmHg
• PKA: pK1:4.785 (25°C)
• Flash Point: 85.4 ºC
• PSA: 37.30000
• Density: 1.202 g/cm³
• LogP: 0.87110
• Storage Temp.: Store below +30°C.
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.052429494
• Heavy Atom Count: 7
• Complexity: 84.1

Purity/Quality:

99% ^*data from raw suppliers

Cyclobutanecarboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,C
• Statements: 36/37/38-34-20/21/22
• Safety Statements: 23-24/25-36-26-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C1CC(C1)C(=O)O
• Uses: Cyclobutanecarboxylic acid is used in water treatment, row materials for sodium fluosilicate potassium fluosilicateammonium fluosilicatecopper fluosilicatebarium fluosilicate and other fluosilicates and silicic tetrafluoride. It is also used in refining lead of electrolysis, as mordant and in the treatment of metal surface.

Technology Process of Cyclobutanecarboxylic acid

There total 33 articles about Cyclobutanecarboxylic 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: 97.0%

ethene (74-85-1) + acrylic acid (79-10-7) → Cyclobutanecarboxylic acid (3721-95-7)

Guidance literature:

In dichloromethane; at -30 - -20 ℃; for 3h; Temperature; UV-irradiation;

Reference yield: 96.0%

(3S,4S)-4-(N-allyl-4-methylphenylsulfonamido)-6-methyl-1,3-diphenylhept-1-yn-3-yl cyclobutanecarboxylate (1427519-99-0) → Cyclobutanecarboxylic acid (3721-95-7) + ((3R,6S)-6-isobutyl-3-methyl-5-phenyl-1-tosyl-1,2,3,6-tetrahydropyridin-4-yl)(phenyl)methanone (1427520-27-1)

Guidance literature:

With Echavarren's catalyst; water; In 1,2-dichloro-ethane; at 80 ℃; for 24h; stereoselective reaction; Inert atmosphere;

DOI:10.1021/jo400121j

Reference yield: 73.0%

cyclobutanemethanol (4415-82-1) → Cyclobutanecarboxylic acid (3721-95-7)

Guidance literature:

With C₁₅H₂₇Br₂CoN₃; potassium hydroxide; In toluene; at 140 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.0c00193

upstream raw materials:

cyclobutylaldehyde

cyclobutanecarbonitrile

cyclobutane-1,1'-dicarboxylic acid

ethyl 3-iodocyclobutane-1-carboxylate

Downstream raw materials:

ethyl cyclobutylcarboxylate

ethyl 1-bromocyclobutane-1-carboxylate

α-Methylthiocyclobutancarbonsaeure

1-(1-Hydroxy-cyclohexyl)-cyclobutanecarboxylic acid

Refernces

• 1、 -. "Method for synthesizing cyclobutyl formic acid". Paragraph 0009; 0010-0012. . Retrieved 2018/04/15.
• 2、 -. "Synthesis method of analgesic intermediate bromomethyl cyclobutane". Paragraph 0009; 0010; 0011; 0012; 0013; 0014. . Retrieved 2017/07/21.