3-(Phosphonooxy)-N-(o-tolyl)naphthalene-2-carboxamide

Base Information

• Chemical Name: 3-(Phosphonooxy)-N-(o-tolyl)naphthalene-2-carboxamide
• CAS No.: 27580-13-8
• Molecular Formula: C18H16 N O5 P
• Molecular Weight: 357.303
• Hs Code.: 2924299090
• European Community (EC) Number: 248-542-9
• UNII: R29CZ52WQ6
• DSSTox Substance ID: DTXSID50181979
• Nikkaji Number: J250.542H
• Wikidata: Q83052632
• Mol file: 27580-13-8.mol

Synonyms:NAPHTHOL AS-D PHOSPHATE;27580-13-8;3-(Phosphonooxy)-N-(o-tolyl)naphthalene-2-carboxamide;EINECS 248-542-9;R29CZ52WQ6;[3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate;N-(2-Methylphenyl)-3-(phosphonooxy)-2-naphthalenecarboxamide;2 Naphtho-o-toluidine-3-phosphoric acid;(3-((2-METHYLPHENYL)CARBAMOYL)NAPHTHALEN-2-YL) DIHYDROGEN PHOSPHATE;UNII-R29CZ52WQ6;C18H16NO5P;SCHEMBL8500672;DTXSID50181979;C18-H16-N-O5-P;FT-0764323;3-(o-tolylcarbamoyl)naphthalen-2-yl dihydrogen phosphate;2-Naphthalenecarboxamide, N-(2-methylphenyl)-3-(phosphonooxy)-

Chemical Property of 3-(Phosphonooxy)-N-(o-tolyl)naphthalene-2-carboxamide

Chemical Property:

• Appearance/Colour: Peach powder
• Boiling Point: °Cat760mmHg
• PKA: 0.80±0.30(Predicted)
• Flash Point: °C
• PSA: 105.67000
• Density: 1.456 g/cm³
• LogP: 3.94500
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 357.07660961
• Heavy Atom Count: 25
• Complexity: 522

Purity/Quality:

97% ^*data from raw suppliers

NAPHTHOL AS-D PHOSPHATE 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)(O)O

Technology Process of 3-(Phosphonooxy)-N-(o-tolyl)naphthalene-2-carboxamide

There total 4 articles about 3-(Phosphonooxy)-N-(o-tolyl)naphthalene-2-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:

naphthol ASD (135-61-5) → 3-(phosphonooxy)-N-(o-tolyl)naphthalene-2-carboxamide (27580-13-8)

Guidance literature:

With phosphorus pentachloride; In 1,4-dioxane; at 50 ℃; for 1h;

DOI:10.1021/ac00080a022

Reference yield:

o-toluidine (95-53-4) → 3-(phosphonooxy)-N-(o-tolyl)naphthalene-2-carboxamide (27580-13-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.) PCl₃ / 1) xylene, 80 deg C, 10 min; 2) xylene, reflux, 2 h

2: PCl₅ / dioxane / 1 h / 50 °C

With phosphorus pentachloride; phosphorus trichloride; In 1,4-dioxane;

DOI:10.1021/ac00080a022

Reference yield:

3-Hydroxy-2-naphthoic acid (92-70-6) → 3-(phosphonooxy)-N-(o-tolyl)naphthalene-2-carboxamide (27580-13-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.) PCl₃ / 1) xylene, 80 deg C, 10 min; 2) xylene, reflux, 2 h

2: PCl₅ / dioxane / 1 h / 50 °C

With phosphorus pentachloride; phosphorus trichloride; In 1,4-dioxane;

DOI:10.1021/ac00080a022

upstream raw materials:

naphthol ASD

o-toluidine

3-Hydroxy-2-naphthoic acid