2-(3-Acetyl-2,2-dimethylcyclobutyl)acetaldehyde

Base Information

• Chemical Name: 2-(3-Acetyl-2,2-dimethylcyclobutyl)acetaldehyde
• CAS No.: 2704-78-1
• Molecular Formula: C10H16O2
• Molecular Weight: 168.236
• Hs Code.: 2914400090
• NSC Number: 46246
• DSSTox Substance ID: DTXSID80949802
• Nikkaji Number: J852.436J
• Mol file: 2704-78-1.mol

Synonyms:2,2-dimethyl-3-acetyl-cyclobutyl-ethanal;Pinonaldehyde

Chemical Property of 2-(3-Acetyl-2,2-dimethylcyclobutyl)acetaldehyde

Chemical Property:

• Vapor Pressure: 0.0343mmHg at 25°C
• Boiling Point: 242.3°Cat760mmHg
• Flash Point: 88.7°C
• PSA: 34.14000
• Density: 0.958g/cm³
• LogP: 1.82670
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Acetyl-2,2-dimethylcyclobutyl)acetaldehyde

There total 15 articles about 2-(3-Acetyl-2,2-dimethylcyclobutyl)acetaldehyde 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: 80.0%

pinanediol (18680-27-8) → (3-acetyl-2,2-dimethylcyclobutyl)acetaldehyde (2704-78-1)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In trifluoroacetic acid; at 30 ℃; for 0.1h;

DOI:10.1039/b618135j

Reference yield: 74.0%

1-(2-Hydroxyethyl)-3-(1-hydroxyethyl)-2,2-dimethylcyclobutane (22630-96-2) → (3-acetyl-2,2-dimethylcyclobutyl)acetaldehyde (58558-22-8,2704-78-1,58558-35-3,71628-89-2,74281-22-4,88199-60-4)

Guidance literature:

With dipyridinium dichromate; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1002/jlcr.910

Reference yield: 70.0%

rac-α-pinene (80-56-8,25766-18-1) → (3-acetyl-2,2-dimethylcyclobutyl)acetaldehyde (58558-22-8,2704-78-1,58558-35-3,71628-89-2,74281-22-4,88199-60-4)

Guidance literature:

rac-α-pinene; With water; oxygen; coolade; ozone; at 27 - 30 ℃; for 2.5h;

With dimethylsulfide; at 27 - 30 ℃; for 12h;

DOI:10.1021/acs.joc.1c02539

upstream raw materials:

Pinene

(-)-α-pinene

pinanediol

2,3-trans-pinanediol

Downstream raw materials:

pinonic acid

Pinene

Refernces

• 1、 Buntasana, Supanat,Hayashi, Jun,Klumphu, Piyatida,Padungros, Panuwat,Saetung, Prakorn,Vilaivan, Tirayut. "Surfactant-Assisted Ozonolysis of Alkenes in Water: Mitigation of Frothing Using Coolade as a Low-Foaming Surfactant". supporting information. . Retrieved 2022/02/23.
• 2、 García, Nuria,Rubio-Presa, Rubén,García-García, Patricia,Fernández-Rodríguez, Manuel A.,Pedrosa, María R.,Arnáiz, Francisco J.,Sanz, Roberto. "A selective, efficient and environmentally friendly method for the oxidative cleavage of glycols". . p. 2335 - 2340. Retrieved 2016/05/19.