1-Phenyl-cyclobutanecarbaldehyde

Base Information

• Chemical Name: 1-Phenyl-cyclobutanecarbaldehyde
• CAS No.: 1469-83-6
• Molecular Formula: C11H12O
• Molecular Weight: 160.216
• Hs Code.: 2912299000
• European Community (EC) Number: 959-446-8
• DSSTox Substance ID: DTXSID00481310
• Nikkaji Number: J80.125I
• Wikidata: Q82316643
• Mol file: 1469-83-6.mol

Synonyms:1469-83-6;1-phenylcyclobutanecarbaldehyde;1-Phenyl-cyclobutanecarbaldehyde;Cyclobutanecarboxaldehyde, 1-phenyl-;1-PHENYLCYCLOBUTANE-1-CARBALDEHYDE;1-phenyl-1-cyclobutane-carbaldehyde;1-Phenylcyclobutanecarboxaldehyde;SCHEMBL1553;1-phenyl-cyclobutanecarbalde-hyde;DTXSID00481310;ZCECDJPMXUAMJE-UHFFFAOYSA-N;1-phenyl-cyclobutane-1-carbaldehyde;MFCD18827380;AKOS015855818;FT-0651313;EN300-729606;J-505084;Z1216846429

Chemical Property of 1-Phenyl-cyclobutanecarbaldehyde

Chemical Property:

• Boiling Point: 95-97 °C
• PSA: 17.07000
• Density: 1.142±0.06 g/cm3(Predicted)
• LogP: 2.30720
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

95% ^*data from raw suppliers

1-Phenylcyclobutanecarbaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Phenyl-cyclobutanecarbaldehyde

There total 9 articles about 1-Phenyl-cyclobutanecarbaldehyde 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:

1-phenylcyclobutanecarbonitrile (14377-68-5) → 1-phenyl-1-cyclobutane-carbaldehyde (1469-83-6)

Guidance literature:

1-phenylcyclobutanecarbonitrile; With diisobutylaluminium hydride; In hexane; at -45 - 0 ℃; Inert atmosphere;

With sulfuric acid; ammonium chloride; In hexane; water; for 1h; Inert atmosphere;

DOI:10.1021/ol800229h

Reference yield:

1-phenylcyclobutanecarbonitrile (14377-68-5) + formic acid ethyl ester (109-94-4) → 1-phenyl-1-cyclobutane-carbaldehyde (1469-83-6)

Guidance literature:

With diisobutylaluminium hydride; In hexane; toluene;

Reference yield:

(1-phenylcyclobutyl)methanol (70775-57-4) → 1-phenyl-1-cyclobutane-carbaldehyde (1469-83-6)

Guidance literature:

With dibenzoyl peroxide; nickel dibromide; In acetonitrile;

DOI:10.1021/jo01330a034

upstream raw materials:

(1-phenylcyclobutyl)methanol

1,3-dibromo-propane

2-benzyl-4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazine

1-phenylcyclobutane-carbonyl chloride

Downstream raw materials:

1-(phenyl)cyclobutane-1-carboxylic acid

C₁₅H₁₈O₂

1-(1-phenylcyclobutyl)prop-2-ynyl acetate

2-Phenylcyclopentanone

Refernces

• 1、 Cai, Xiao,Keshavarz, Amir,Omaque, Justin D.,Stokes, Benjamin J.. "Br?nsted Acid-Catalyzed Intramolecular Hydroarylation of β-Benzylstyrenes". supporting information. p. 2626 - 2629. Retrieved 2017/05/24.
• 2、 Gutierrez-Bonet, Alvaro,Flores-Gaspar, Areli,Martin, Ruben. "Fe-catalyzed regiodivergent [1,2]-shift of α-aryl aldehydes". supporting information. p. 12576 - 12579. Retrieved 2013/09/23.