1-Phenylcyclobutanecarboxylic acid

Base Information

• Chemical Name: 1-Phenylcyclobutanecarboxylic acid
• CAS No.: 37828-19-6
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• Hs Code.: 2916399090
• European Community (EC) Number: 816-668-9
• NSC Number: 125693
• DSSTox Substance ID: DTXSID00298743
• Wikidata: Q72501515
• Mol file: 37828-19-6.mol

Synonyms:1-Phenylcyclobutanecarboxylic acid;37828-19-6;1-phenylcyclobutane-1-carboxylic acid;Cyclobutanecarboxylic acid, 1-phenyl-;1-PhenylcyclobutanecarboxylicAcid;Phenylcyclobutane-1-carboxylic acid;MFCD00019262;1-Phenyl-cyclobutanecarboxylic acid;SCHEMBL1667343;DTXSID00298743;JHZRNLRTNIDFKG-UHFFFAOYSA-N;AMY20082;1-Phenyl-cyclobutane-carboxylic acid;NSC125693;1-phenyl-1-cyclobutanecarboxylic acid;AKOS005136986;AB01258;AC-4366;CS-W000755;NSC-125693;PS-4233;1-(Phenyl)cyclobutane-1-carboxylic acid;SY001010;1-phenylcyclobutanecarboxylic acid, AldrichCPR;EN300-14948;A823895;J-505086;Z111414052;2-phenylcyclobutanecarboxylic acid;1-Phenylcyclobutanecarboxylic Acid

Chemical Property of 1-Phenylcyclobutanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.000104mmHg at 25°C
• Melting Point: 100-102℃
• Boiling Point: 323.9 °C at 760 mmHg
• PKA: 4.39±0.20(Predicted)
• Flash Point: 149.2 °C
• PSA: 37.30000
• Density: 1.208 g/cm³
• LogP: 2.19290
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

98%min ^*data from raw suppliers

1-PhenylcyclobutanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)(C2=CC=CC=C2)C(=O)O

Technology Process of 1-Phenylcyclobutanecarboxylic acid

There total 12 articles about 1-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: 90.1%

→ 1-(phenyl)cyclobutane-1-carboxylic acid (37828-19-6)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 12h; Reflux;

Reference yield: 90.0%

1-phenylcyclobutanecarbonitrile (14377-68-5) → 1-(phenyl)cyclobutane-1-carboxylic acid (37828-19-6)

Guidance literature:

With potassium hydroxide; In diethylene glycol; at 150 ℃; for 48h;

Reference yield:

1-(4-chlorophenyl)cyclobutane-1-carboxylic acid (50921-39-6) → 1-(phenyl)cyclobutane-1-carboxylic acid (37828-19-6)

Guidance literature:

With ammonium formate; 5%-palladium/activated carbon; In water; isopropyl alcohol; at 65 ℃; for 5h;

upstream raw materials:

1-iodo-3-chloro-propane

sodium diethyl-2-phenylmalonate

1-phenylcyclobutanecarbonitrile

1-phenyl-1-cyclobutane-carbaldehyde

Downstream raw materials:

phenylcyclobutane

1-phenylcyclobutyl amine

1-(4-nitrophenyl)cyclobutanecarboxylic acid

(1-phenylcyclobutyl)methanol

Refernces

• 1、 -. "Synthesis method of arylcyclobutane compound". Paragraph 0130-0133; 0176-0178. . Retrieved 2022/01/10.
• 2、 Bull, James A.,Choi, Chulho,Dubois, Maryne A. J.,Lee Wei Jie, Alvin,Mousseau, James J.,Smith, Milo A.,White, Andrew J. P.. "Short Synthesis of Oxetane and Azetidine 3-Aryl-3-carboxylic Acid Derivatives by Selective Furan Oxidative Cleavage". . p. 5279 - 5283. Retrieved 2020/08/14.