(3-oxocyclobutyl)Methyl benzoate

Base Information

• Chemical Name: (3-oxocyclobutyl)Methyl benzoate
• CAS No.: 346425-59-0
• Molecular Formula: C12H12O3
• Molecular Weight: 204.225
• DSSTox Substance ID: DTXSID70573731
• Nikkaji Number: J1.512.392C
• Wikidata: Q82462543
• Mol file: 346425-59-0.mol

Synonyms:(3-oxocyclobutyl)Methyl benzoate;346425-59-0;(3-oxocyclobutyl)Methylbenzoate;SCHEMBL3727933;DTXSID70573731;SB13879;F50141

Chemical Property of (3-oxocyclobutyl)Methyl benzoate

Chemical Property:

• PSA: 43.37000
• LogP: 1.82250
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 204.078644241
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

97% ^*data from raw suppliers

(3-Oxocyclobutyl)methylbenzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC1=O)COC(=O)C2=CC=CC=C2

Technology Process of (3-oxocyclobutyl)Methyl benzoate

There total 5 articles about (3-oxocyclobutyl)Methyl benzoate 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: 99.0%

3-(benzoyloxymethyl)-2,2-dichlorocyclobutanone (245408-79-1) → (3-oxo-cyclobutyl)methyl benzoate (346425-59-0)

Guidance literature:

With pyridine; acetic acid; zinc; at 0 - 40 ℃; for 3.66667h;

Reference yield: 98.0%

(3,3-bis-methoxy-cyclobutyl)methyl benzoate → (3-oxo-cyclobutyl)methyl benzoate (346425-59-0)

Guidance literature:

With sulfuric acid; In acetonitrile; at 20 ℃; for 2h;

Reference yield:

(3,3-bis-methoxy-cyclobutyl)methanol (175021-11-1) → (3-oxo-cyclobutyl)methyl benzoate (346425-59-0)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; N-ethyl-N,N-diisopropylamine / dichloromethane / 16 h / 0 - 20 °C

2: sulfuric acid / acetonitrile / 2 h / 20 °C

With sulfuric acid; triethylamine; N-ethyl-N,N-diisopropylamine; In dichloromethane; acetonitrile;

upstream raw materials:

3-(benzoyloxymethyl)-2,2-dichlorocyclobutanone

vinyl benzoate

(3,3-bis-methoxy-cyclobutyl)methanol

3-oxocyclobutanecarboxylic acid

Downstream raw materials:

Benzoic acid (3S,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-ylmethyl ester

Benzoic acid (3R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-ylmethyl ester

(3-hydroxycyclobutyl)methyl benzoate

((3-((methylsulfonyl)oxy)cyclobutyl)methyl)benzoate