3-Phenylcyclobutanecarboxylic acid

Base Information

• Chemical Name: 3-Phenylcyclobutanecarboxylic acid
• CAS No.: 66016-28-2
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• Hs Code.: 2916399090
• European Community (EC) Number: 810-315-2,829-502-5
• DSSTox Substance ID: DTXSID70216232
• Nikkaji Number: J57.865G
• Mol file: 66016-28-2.mol

Synonyms:66016-28-2;3-Phenylcyclobutanecarboxylic acid;3-phenylcyclobutane-1-carboxylic acid;16204-48-1;3-Phenyl-cyclobutanecarboxylic acid;CYCLOBUTANECARBOXYLIC ACID, 3-PHENYL-;trans-3-phenylcyclobutanecarboxylic acid;cis-3-phenylcyclobutanecarboxylic acid;(1s,3s)-3-phenylcyclobutane-1-carboxylic acid, cis;MFCD01734191;1570-98-5;(1s,3s)-3-phenylcyclobutane-1-carboxylic acid;Rel-(1s,3s)-3-phenylcyclobutane-1-carboxylic acid;starbld0039557;SCHEMBL717453;SCHEMBL7388336;SCHEMBL11665023;DTXSID70216232;3-phenylcyclobutane carboxylic acid;AMY20808;MFCD20638880;AKOS010867517;AKOS040804775;CS-W000558;SB18579;BS-13861;LS-55863;SY099661;FT-0750860;EN300-56880;E73618;E73619;EN300-650581;P10204;A934666;Z858585502

Chemical Property of 3-Phenylcyclobutanecarboxylic acid

Chemical Property:

• Vapor Pressure: 6.43E-05mmHg at 25°C
• Boiling Point: 330.9°C at 760 mmHg
• PKA: 4.67±0.40(Predicted)
• Flash Point: 151.9°C
• PSA: 37.30000
• Density: 1.195g/cm³
• LogP: 2.26480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Phenylcyclobutane-1-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC1C(=O)O)C2=CC=CC=C2

Technology Process of 3-Phenylcyclobutanecarboxylic acid

There total 7 articles about 3-Phenylcyclobutanecarboxylic 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:

methyl 3-phenylcyclobutane-1-carboxylate (227935-29-7) → 3-phenylcyclobutane-1-carboxylic acid (66016-28-2)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 0 - 20 ℃; for 4h;

Reference yield:

3-phenylcyclobutane-1,1-dicarboxylic acid (1570-97-4) → 3-phenylcyclobutane-1-carboxylic acid (66016-28-2)

Guidance literature:

In neat (no solvent); at 210 ℃; for 0.5h;

DOI:10.1021/ja00311a003

Reference yield:

((1R,5R,7S)-10,10-Dimethyl-3,3-dioxo-3λ6-thia-4-aza-tricyclo[5.2.1.01,5]dec-4-yl)-(3-phenyl-cyclobutyl)-methanone → 3-phenylcyclobutane-1-carboxylic acid (66016-28-2)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; Ambient temperature;

DOI:10.1021/jm950858c

upstream raw materials:

3-phenylcyclobutane-1,1-dicarboxylic acid

bromobenzene

3-oxocyclobutanecarboxylic acid

3-phenyl-3-hydroxycyclobutane-1-carboxylic acid

Downstream raw materials:

1-(hydroxymethyl)-3-phenylcyclobutane

methyl 3-phenylcyclobutane-1-carboxylate

3-Cyclohexyl-cyclobutanecarboxylic acid

Phenyl-3 cyclobutanique

Refernces

• 1、 Portevin, Bernard,Benoist, Alain,Rémond, Georges,Hervé, Yolande,Vincent, Michel,Lepagnol, Jean,De Nanteuil, Guillaume. "New prolyl endopeptidase inhibitors: In vitro and in vivo activities of azabicyclo[2.2.2]octane, azabicyclo[2.2.1]heptane, and perhydroindole derivatives". . p. 2379 - 2391. Retrieved 2007/10/03.