2-Naphthalenecarboxamide, N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxy-

Base Information

• Chemical Name: 2-Naphthalenecarboxamide, N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxy-
• CAS No.: 5165-81-1
• Molecular Formula: C19H16 Cl N O3
• Molecular Weight: 341.794
• Hs Code.: 2924299090
• European Community (EC) Number: 225-946-3
• NSC Number: 50689
• UNII: N3ZQ2NPW7W
• DSSTox Substance ID: DTXSID1063724
• Nikkaji Number: J73.260E
• Wikidata: Q81990970
• Mol file: 5165-81-1.mol

Synonyms:5165-81-1;2-Naphthalenecarboxamide, N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxy-;N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;4'-Chloro-3-hydroxy-2'-methoxy-5'-methyl-2-naphthanilide;EINECS 225-946-3;N3ZQ2NPW7W;NSC-50689;2-Naphth-o-anisidide, 4'-chloro-3-hydroxy-5'-methyl-;C19H16ClNO3;UNII-N3ZQ2NPW7W;C.I. 37541;DTXSID1063724;SCHEMBL10423848;C.I. Azoic Coupling Component 28;NSC50689;NSC 50689;N-(4-CHLORO-2-METHOXY-5-METHYLPHENYL)-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE;C.I.37541;FT-0726604;W-110014

Chemical Property of 2-Naphthalenecarboxamide, N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxy-

Chemical Property:

• Boiling Point: 458.9°Cat760mmHg
• PKA: 8.68±0.40(Predicted)
• Flash Point: 231.4°C
• PSA: 58.56000
• Density: 1.35g/cm³
• LogP: 4.84110
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 341.0818711
• Heavy Atom Count: 24
• Complexity: 446

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=CC=CC=C3C=C2O

Technology Process of 2-Naphthalenecarboxamide, N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxy-

There total 2 articles about 2-Naphthalenecarboxamide, N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxy- 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:

3-Hydroxy-2-naphthoic acid (92-70-6) + 2-methoxy-5-methyl-4-chloroaniline (6376-14-3) → naphthol ASRT (5165-81-1)

Guidance literature:

With phosphorus trichloride; Multistep reaction; 1) xylene, 80 deg C, 10 min; 2) xylene, reflux, 2 h;

DOI:10.1021/ac00080a022

Reference yield:

→ naphthol ASRT (5165-81-1)

Guidance literature:

3-Hydroxy-naphthoyl-(2)-chlorid, 4-Chlor-6-methoxy-m-toluidin, Py., Sieden;

DOI:10.1016/0040-4020(60)80063-4

Reference yield:

naphthol ASRT (5165-81-1) → Phosphoric acid mono-[3-(4-chloro-2-methoxy-5-methyl-phenylcarbamoyl)-naphthalen-2-yl] ester

Guidance literature:

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

DOI:10.1021/ac00080a022

upstream raw materials:

3-Hydroxy-2-naphthoic acid

2-methoxy-5-methyl-4-chloroaniline

Refernces