Carbanilic acid, 1-ethynylcyclohexyl ester

Base Information

• Chemical Name: Carbanilic acid, 1-ethynylcyclohexyl ester
• CAS No.: 73623-16-2
• Molecular Formula: C15H17NO2
• Molecular Weight: 243.301
• NSC Number: 191813
• DSSTox Substance ID: DTXSID10307491
• Wikidata: Q82054905
• ChEMBL ID: CHEMBL5016783
• Mol file: 73623-16-2.mol

Synonyms:Carbanilic acid, 1-ethynylcyclohexyl ester;1-Ethynylcyclohexyl carbanilate;73623-16-2;(1-ethynylcyclohexyl) N-phenylcarbamate;NIOSH/FD8940060;FD89400600;Cyclohexanol, phenylcarbamate;1-ethynylcyclohexyl phenylcarbamate;CHEMBL5016783;DTXSID10307491;WLN: L6TJ AOVMR& A1UU1;NSC191813;NSC-191813;AD-266/40025804

Chemical Property of Carbanilic acid, 1-ethynylcyclohexyl ester

Chemical Property:

• Vapor Pressure: 0.000444mmHg at 25°C
• Boiling Point: 315.2°C at 760 mmHg
• Flash Point: 144.4°C
• PSA: 38.33000
• Density: 1.12g/cm³
• LogP: 3.64420
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 243.125928785
• Heavy Atom Count: 18
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1(CCCCC1)OC(=O)NC2=CC=CC=C2

Technology Process of Carbanilic acid, 1-ethynylcyclohexyl ester

There total 2 articles about Carbanilic acid, 1-ethynylcyclohexyl 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: 100.0%

phenyl isocyanate (103-71-9) + 1-Ethynylcyclohexan-1-ol (78-27-3) → 1-ethynylcyclohexyl phenylcarbamate (73623-16-2)

Guidance literature:

With dmap; triethylamine; In tetrahydrofuran; at 20 ℃; for 90h;

DOI:10.1071/CH08111

Reference yield:

→ 1-ethynylcyclohexyl phenylcarbamate (73623-16-2)

Guidance literature:

1-Ethinyl-cyclohexanol, Py., Phenylisocyanat, Δ;

Reference yield: 80.0%

1-ethynylcyclohexyl phenylcarbamate (73623-16-2) → 4-methylene-3-phenyl-1-oxa-3-azaspiro[4.5]decan-2-one (86198-68-7)

Guidance literature:

With lithium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1071/CH08111

upstream raw materials:

phenyl isocyanate

1-Ethynylcyclohexan-1-ol

Downstream raw materials:

4-methylene-3-phenyl-1-oxa-3-azaspiro[4.5]decan-2-one

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