Methyl 3,3-dimethoxycyclobutane-1-carboxylate

Base Information

• Chemical Name: Methyl 3,3-dimethoxycyclobutane-1-carboxylate
• CAS No.: 98231-07-3
• Molecular Formula: C8H14O4
• Molecular Weight: 174.197
• Hs Code.: 2918990090
• European Community (EC) Number: 878-122-6
• DSSTox Substance ID: DTXSID00440664
• Wikidata: Q72467847
• Mol file: 98231-07-3.mol

Synonyms:98231-07-3;Methyl 3,3-dimethoxycyclobutanecarboxylate;Methyl 3,3-dimethoxycyclobutane-1-carboxylate;3,3-Dimethoxycyclobutane-1-carboxylate methyl ester;MFCD11111944;SCHEMBL449125;DTXSID00440664;CHNARWNKXNPXOU-UHFFFAOYSA-N;YDA23107;AKOS006309842;PB19142;Methyl3,3-dimethoxycyclobutanecarboxylate;AM806992;AS-34485;SY097144;CS-0049138;FT-0686435;EN300-189357;3, 3-dimethoxy-cyclobutanecarboxylic acid methyl ester;3,3-dimethoxy-cyclobutanecarboxylic acid methyl ester

Chemical Property of Methyl 3,3-dimethoxycyclobutane-1-carboxylate

Chemical Property:

• Boiling Point: 191.2±40.0 °C(Predicted)
• PSA: 44.76000
• Density: 1.09±0.1 g/cm3(Predicted)
• LogP: 0.55850
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,3-Dimethoxycyclobutane-1-carboxylatemethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CC(C1)(OC)OC
• Uses: 3,3-Dimethoxycyclobutane-1-carboxylate methyl ester is a useful research chemical.

Technology Process of Methyl 3,3-dimethoxycyclobutane-1-carboxylate

There total 13 articles about Methyl 3,3-dimethoxycyclobutane-1-carboxylate 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: 97.0%

3-oxocyclobutanecarboxylic acid (23761-23-1) + trimethyl orthoformate (149-73-5) → 3,3-dimethoxycyclobutanecarboxylic acid methyl ester (98231-07-3)

Guidance literature:

toluene-4-sulfonic acid; In methanol; for 2h; Heating / reflux;

Reference yield: 96.0%

methyl 3-oxocyclobutanecarboxylate (695-95-4) + trimethyl orthoformate (149-73-5) → 3,3-dimethoxycyclobutanecarboxylic acid methyl ester (98231-07-3)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; at 45 ℃; for 5h;

Reference yield: 95.0%

methanol (67-56-1) + 3-oxocyclobutanecarboxylic acid (23761-23-1) + trimethyl orthoformate (149-73-5) → 3,3-dimethoxycyclobutanecarboxylic acid methyl ester (98231-07-3)

Guidance literature:

With toluene-4-sulfonic acid; at 52 - 53 ℃;

upstream raw materials:

methanol

copper(I) cyanide

methyl 3-chlorobicyclobutanecarboxylate

3-oxocyclobutanecarboxylic acid

Downstream raw materials:

(3-hydroxycyclobutyl)methyl benzoate

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

1-methyl-3-oxocyclobutane-1-carboxylic acid

Refernces

• 1、 Ning, Xiaoqin,Chen, Yongke,Hu, Fangdong,Xia, Ying. "Palladium-Catalyzed Carbene Coupling Reactions of Cyclobutanone N-Sulfonylhydrazones". supporting information. p. 8348 - 8352. Retrieved 2021/10/25.
• 2、 -. "PROCESS FOR THE PREPARATION OF AN AMINO-PYRIMIDINE AND INTERMEDIATES THEREOF". Paragraph 0096. . Retrieved 2019/07/17.