Methyl 3-acetyl-2,2-dimethylcyclobutaneacetate

Base Information

• Chemical Name: Methyl 3-acetyl-2,2-dimethylcyclobutaneacetate
• CAS No.: 16978-11-3
• Molecular Formula: C11H18 O3
• Molecular Weight: 198.262
• Hs Code.: 2918300090
• European Community (EC) Number: 241-055-2
• NSC Number: 96756
• DSSTox Substance ID: DTXSID90937679
• Nikkaji Number: J318.312B
• Mol file: 16978-11-3.mol

Synonyms:Methyl pinonate;16978-11-3;Methyl 3-acetyl-2,2-dimethylcyclobutaneacetate;methyl 2-(3-acetyl-2,2-dimethylcyclobutyl)acetate;EINECS 241-055-2;Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-, methyl ester;SCHEMBL2818518;DTXSID90937679;NSC96756;NSC 96756;NSC-96756;Cyclobutaneacetic acid,2-dimethyl-, methyl ester;methyl (3-acetyl-2,2-dimethylcyclobutyl)acetate;3-Acetyl-2,2-dimethylcyclobutane-1-acetic acid methyl ester

Chemical Property of Methyl 3-acetyl-2,2-dimethylcyclobutaneacetate

Chemical Property:

• Vapor Pressure: 0.0236mmHg at 25°C
• Boiling Point: 248.9°Cat760mmHg
• Flash Point: 101.3°C
• PSA: 43.37000
• Density: 1g/cm³
• LogP: 1.80080
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 198.125594432
• Heavy Atom Count: 14
• Complexity: 255

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)OC

Technology Process of Methyl 3-acetyl-2,2-dimethylcyclobutaneacetate

There total 5 articles about Methyl 3-acetyl-2,2-dimethylcyclobutaneacetate 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: 100.0%

methanol (67-56-1) + pinonic acid (473-72-3) → pinonic acid methyl ester (16978-11-3)

Guidance literature:

With boron trifluoride; at 65 ℃; for 0.333333h;

DOI:10.1021/ac049919h

Reference yield:

methanol (67-56-1) + cis-pinonic acid (17879-35-5,52305-34-7,61376-92-9,61826-55-9,64396-97-0,127062-09-3,473-72-3) → methyl [(1SR,3SR)-3-acetyl-2,2-dimethylcyclobutyl]acetate (16978-11-3,22571-76-2,22571-77-3,52305-35-8,52305-36-9,59905-65-6,61769-67-3,64396-98-1)

Guidance literature:

With sulfuric acid;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + cis-pinonic acid (17879-35-5,52305-34-7,61376-92-9,61826-55-9,64396-97-0,127062-09-3,473-72-3) → methyl [(1SR,3SR)-3-acetyl-2,2-dimethylcyclobutyl]acetate (16978-11-3,22571-76-2,22571-77-3,52305-35-8,52305-36-9,59905-65-6,61769-67-3,64396-98-1)

Guidance literature:

upstream raw materials:

methanol

pinonic acid

cis-pinonic acid

diazomethane

Downstream raw materials:

[3-(1-hydroxy-1-methyl-ethyl)-2,2-dimethyl-cyclobutyl]-acetic acid methyl ester

(5-Cyclohexyloxy-2,2-dimethyl-tetrahydro-furan-3-yl)-acetic acid methyl ester

(2,2-Dimethyl-5-phenoxy-tetrahydro-furan-3-yl)-acetic acid methyl ester

(5-Benzyloxy-2,2-dimethyl-tetrahydro-furan-3-yl)-acetic acid methyl ester

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