Cyclobutanecarboxylic acid, 1-[(methoxycarbonyl)amino]-, ethyl ester (9CI)

Base Information

• Chemical Name: Cyclobutanecarboxylic acid, 1-[(methoxycarbonyl)amino]-, ethyl ester (9CI)
• CAS No.: 106366-63-6
• Molecular Formula: C₉H₁₅NO₄
• Molecular Weight: 201.222
• DSSTox Substance ID: DTXSID401207841
• Mol file: 106366-63-6.mol

Synonyms:106366-63-6;Cyclobutanecarboxylic acid, 1-[(methoxycarbonyl)amino]-, ethyl ester (9CI);ethyl 1-(methoxycarbonylamino)cyclobutane-1-carboxylate;DTXSID401207841;Ethyl 1-[(methoxycarbonyl)amino]cyclobutanecarboxylate;Cyclobutanecarboxylic acid,1-[(methoxycarbonyl)amino]-,ethyl ester(9ci)

Chemical Property of Cyclobutanecarboxylic acid, 1-[(methoxycarbonyl)amino]-, ethyl ester (9CI)

Chemical Property:

• PSA: 64.63000
• LogP: 1.21910
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 201.10010796
• Heavy Atom Count: 14
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCC1)NC(=O)OC

Technology Process of Cyclobutanecarboxylic acid, 1-[(methoxycarbonyl)amino]-, ethyl ester (9CI)

There total 2 articles about Cyclobutanecarboxylic acid, 1-[(methoxycarbonyl)amino]-, ethyl ester (9CI) 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: 28.0%

1-Isocyanato-cyclobutanecarboxylic acid ethyl ester (106366-62-5) → 2-Methoxycarbonylamino-acrylic acid ethyl ester (106366-64-7) + 1-Methoxycarbonylamino-cyclobutanecarboxylic acid ethyl ester (106366-63-6)

Guidance literature:

at 580 ℃; under 4 Torr; pyrolysis;

DOI:10.1016/S0040-4039(00)84552-9

Reference yield:

1-Azidocarbonyl-cyclobutanecarboxylic acid ethyl ester → 1-Methoxycarbonylamino-cyclobutanecarboxylic acid ethyl ester (106366-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / Heating

2: 14 percent / 580 °C / 4 Torr / pyrosysis

In toluene;

DOI:10.1016/S0040-4039(00)84552-9

upstream raw materials:

1-Isocyanato-cyclobutanecarboxylic acid ethyl ester