2-[(cyclopropylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Base Information

• Chemical Name: 2-[(cyclopropylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
• CAS No.: 5699-71-8
• Molecular Formula: C₇H₁₁NO
• Molecular Weight: 125.17
• DSSTox Substance ID: DTXSID40972479
• Wikidata: Q82956253
• Mol file: 5699-71-8.mol

Synonyms:5699-71-8;2-[(cyclopropylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide;Cambridge id 5699718;Oprea1_743585;SCHEMBL8288845;DTXSID40972479;STK426231;AKOS003253379;AB00093963-01;N-(3-Carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cyclopropanecarboximidic acid

Chemical Property of 2-[(cyclopropylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Chemical Property:

• Vapor Pressure: 3.28E-09mmHg at 25°C
• Boiling Point: 475.6°C at 760 mmHg
• Flash Point: 241.4°C
• Density: 1.36g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 278.10889899
• Heavy Atom Count: 19
• Complexity: 384

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3CC3

Technology Process of 2-[(cyclopropylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

There total 2 articles about 2-[(cyclopropylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide 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: 55.0%

→ 3,3-diethyloxirane-2-carbonitrile (5699-71-8)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 20 ℃;

Reference yield:

chloroacetonitrile (107-14-2) + pentan-3-one (96-22-0) → 3,3-diethyloxirane-2-carbonitrile (5699-71-8)

Guidance literature:

With diethyl ether; sodium ethanolate;

upstream raw materials:

chloroacetonitrile

pentan-3-one