Cyclobutanecarbaldehyde

Base Information

• Chemical Name: Cyclobutanecarbaldehyde
• CAS No.: 2987-17-9
• Molecular Formula: C5H8O
• Molecular Weight: 84.1179
• Hs Code.: 2912299000
• European Community (EC) Number: 608-426-4
• ChEMBL ID: CHEMBL18475
• DSSTox Substance ID: DTXSID70498011
• Nikkaji Number: J80.610B
• Wikidata: Q72459331
• Mol file: 2987-17-9.mol

Synonyms:Cyclobutanecarboxaldehyde;cyclobutanecarbaldehyde;2987-17-9;MFCD03789631;CHEMBL18475;cyclobutancarbaldehyd;cyclobutanecarboaldehyde;Cyclobutane-carbaldehyde;2-cyclobutanecarbaldehyde;cyclobutane carboxaldehyde;DTXSID70498011;INVYSLWXPIEDIQ-UHFFFAOYSA-N;BCP28808;CS-D0314;BDBM50028845;cyclobutanecarboxaldehyde, AldrichCPR;AKOS012298721;AM90197;SB85395;PS-11985;SY019700;FT-0651605;EN300-71825;A820088;J-520133;Z1079442452

Chemical Property of Cyclobutanecarbaldehyde

Chemical Property:

• Vapor Pressure: 29.569mmHg at 25°C
• Refractive Index: 1.559
• Boiling Point: 105.412 °C at 760 mmHg
• Flash Point: 22.844 °C
• PSA: 17.07000
• Density: 1.085 g/cm³
• LogP: 0.98540
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 84.057514874
• Heavy Atom Count: 6
• Complexity: 55

Purity/Quality:

98% ^*data from raw suppliers

Cyclobutanecarboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)C=O
• Uses: Cyclobutanecarboxaldehyde is a useful synthetic intermediate.

Technology Process of Cyclobutanecarbaldehyde

There total 4 articles about 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:

3,4-dihydro-2H-pyran (110-87-2) → cyclobutylaldehyde (2987-17-9) + 2-oxabicyclo<3.1.0>hexane (285-61-0) + acrolein (107-02-8,25068-14-8)

Guidance literature:

In pentane; for 2h; Product distribution; Irradiation;

DOI:10.1021/jo00324a013

Reference yield:

→ cyclobutylaldehyde (2987-17-9) + cyclopentanone (120-92-3)

Guidance literature:

With water; lead(II) oxide;

Reference yield:

1-bromo-1-bromomethyl-cyclobutane (53968-66-4) + water (7732-18-5) → cyclobutylaldehyde (2987-17-9) + cyclopentanone (120-92-3)

Guidance literature:

at 20 ℃;

upstream raw materials:

3,4-dihydro-2H-pyran

1-bromo-1-bromomethyl-cyclobutane

water

1-chloromethyl-cyclobutanol

Downstream raw materials:

cyclobutanemethanol

cyclopentanone

methanesulfonic acid 1-cyclobutyl-2-oxo-2-phenyl-ethyl ester

nalbuphine

Refernces