1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester

Base Information

• Chemical Name: 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester
• CAS No.: 18188-87-9
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.1992
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00171209
• Nikkaji Number: J78.723J
• Mol file: 18188-87-9.mol

Synonyms:18188-87-9;N-(2-Troponyl)ethylurethan;1,3,5-CYCLOHEPTATRIENE-1-CARBAMIC ACID, 7-OXO-, ETHYL ESTER;BRN 2805187;ethyl N-(7-oxocyclohepta-1,3,5-trien-1-yl)carbamate;7-Oxo-1,3,5-cycloheptatriene-1-carbamic acid ethyl ester;2-(ethoxycarbonylamino)tropone;DTXSID00171209;LS-56145

Chemical Property of 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester

Chemical Property:

• Vapor Pressure: 0.000144mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 332.6°Cat760mmHg
• Flash Point: 155°C
• PSA: 58.89000
• Density: 1.18g/cm³
• LogP: 1.62880
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC1=CC=CC=CC1=O

Technology Process of 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester

There total 2 articles about 1,3,5-Cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester 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: 29.0%

ethanol (64-17-5) + 2H-cycloheptaoxazol-2-one (225112-68-5) → 2-aminotropone (6264-93-3) + 2-(ethoxycarbonylamino)tropone (18188-87-9)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 0.05h; Alkaline hydrolysis;

Reference yield:

→ 2-(ethoxycarbonylamino)tropone (18188-87-9)

Guidance literature:

aus Tropon, N-Ylid 1;

DOI:10.1016/0040-4020(72)88029-3

upstream raw materials:

ethanol

2H-cycloheptaoxazol-2-one

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