Cyclohexyl anthranilate

Base Information

• Chemical Name: Cyclohexyl anthranilate
• CAS No.: 7779-16-0
• Molecular Formula: C13H17NO2
• Molecular Weight: 219.283
• European Community (EC) Number: 231-920-2
• UNII: LDE0728B6A
• DSSTox Substance ID: DTXSID6024884
• Nikkaji Number: J326.561G
• Wikidata: Q27282928
• Metabolomics Workbench ID: 47885
• Mol file: 7779-16-0.mol

Synonyms:CYCLOHEXYL ANTHRANILATE;Cyclohexyl 2-aminobenzoate;7779-16-0;Benzoic acid, 2-amino-, cyclohexyl ester;Anthranilic acid, cyclohexyl ester;FEMA No. 2350;EINECS 231-920-2;CCRIS 6007;UNII-LDE0728B6A;AI3-03469;LDE0728B6A;2-aminobenzoic acid cyclohexyl ester;Cyclohexyl 2-aminobenzoate #;SCHEMBL1532423;DTXSID6024884;FEMA 2350;CHEBI:179207;MFCD00036492;CYCLOHEXYL ANTHRANILATE [FHFI];AKOS010529495;Benzoic acid,2-amino-,cyclohexyl ester;FS-3986;LS-1731;FT-0676306;A839191;Q27282928

Chemical Property of Cyclohexyl anthranilate

Chemical Property:

• Appearance/Colour: Viscous yellow liquid
• Vapor Pressure: 5.85E-05mmHg at 25°C
• Refractive Index: 1.559
• Boiling Point: 346.2 °C at 760 mmHg
• PKA: 2.17±0.10(Predicted)
• Flash Point: 192.3 °C
• PSA: 52.32000
• Density: 1.13 g/cm³
• LogP: 3.33950
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

Cyclohexyl anthranilate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OC(=O)C2=CC=CC=C2N

Technology Process of Cyclohexyl anthranilate

There total 6 articles about Cyclohexyl anthranilate 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: 82.0%

2-Nitrobenzyl alcohol (612-25-9) + cyclohexanol (108-93-0) → cyclohexyl 2-aminobenzoate (7779-16-0)

Guidance literature:

With caesium carbonate; at 100 ℃; for 16h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c7ob02919e

Reference yield: 71.0%

isatoic anhydride (118-48-9) + cyclohexanol (108-93-0) → cyclohexyl 2-aminobenzoate (7779-16-0)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; for 12h; Reflux;

DOI:10.1016/j.jsbmb.2018.12.005

Reference yield:

2-(2,2,2-trifluoro-acetylamino)-benzoic acid cyclohexyl ester (1028263-34-4) → cyclohexyl 2-aminobenzoate (7779-16-0)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 3h;

DOI:10.1016/S0040-4039(00)02327-3

upstream raw materials:

2-(2,2,2-trifluoro-acetylamino)-benzoic acid cyclohexyl ester

N-(trifluoroacetyl)anthranilic acid

anthranilic acid

cyclohexanol

Downstream raw materials:

2-(4-Hydroxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienylamino)-benzoic acid cyclohexyl ester