Cyclobutylmethyl acetate

Base Information

• Chemical Name: Cyclobutylmethyl acetate
• CAS No.: 40015-60-9
• Molecular Formula: C7H12O2
• Molecular Weight: 128.169
• NSC Number: 157548
• DSSTox Substance ID: DTXSID90303254
• Nikkaji Number: J89.326I
• Wikidata: Q82048438
• Mol file: 40015-60-9.mol

Synonyms:40015-60-9;cyclobutylmethyl acetate;NSC157548;cyclobutyl methyl acetate;SCHEMBL697497;DTXSID90303254;NSC-157548

Chemical Property of Cyclobutylmethyl acetate

Chemical Property:

• Vapor Pressure: 2.63mmHg at 25°C
• Boiling Point: 158.4°Cat760mmHg
• Flash Point: 42.3°C
• PSA: 26.30000
• Density: 0.997g/cm³
• LogP: 1.34960
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1CCC1

Technology Process of Cyclobutylmethyl acetate

There total 4 articles about Cyclobutylmethyl acetate 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:

Cyclobutanecarboxylic acid (3721-95-7) → Essigsaeure-cyclobutylmethylester (40015-60-9)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium alanate; diethyl ether

2: pyridine; diethyl ether

With pyridine; lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01601a068

Reference yield:

cyclobutanemethanol (4415-82-1) + acetyl chloride (75-36-5) → Essigsaeure-cyclobutylmethylester (40015-60-9)

Guidance literature:

With pyridine; diethyl ether;

DOI:10.1021/ja01601a068

Reference yield:

cyclobutanemethanol (4415-82-1) + lead(IV) tetraacetate (546-67-8) → Essigsaeure-cyclobutylmethylester (40015-60-9)

Guidance literature:

With calcium carbonate; In benzene;

DOI:10.1002/hlca.19690520429

upstream raw materials:

cyclobutanemethanol

acetyl chloride

lead(IV) tetraacetate

Cyclobutanecarboxylic acid