2-[(2,4-Dimethylphenyl)amino]nicotinic acid

Base Information

• Chemical Name: 2-[(2,4-Dimethylphenyl)amino]nicotinic acid
• CAS No.: 17782-10-4
• Molecular Formula: C₁₄H₁₄N₂O₂
• Molecular Weight: 242.277
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80360795
• Wikidata: Q82142737
• Mol file: 17782-10-4.mol

Synonyms:17782-10-4;2-[(2,4-dimethylphenyl)amino]nicotinic acid;2-((2,4-Dimethylphenyl)amino)nicotinic acid;2-(2,4-dimethylanilino)pyridine-3-carboxylic acid;2-[(2,4-DIMETHYLPHENYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID;2-(2,4-Dimethyl-phenylamino)-nicotinic acid;Oprea1_344382;DTXSID80360795;3-Pyridinecarboxylic acid, 2-[(2,4-dimethylphenyl)amino]-;MFCD03119354;AKOS000661454;LS-10087;EN300-18544;BRD-K03037967-001-01-3;Z71176838;4-[4-(4-Butylcyclohexyl)phenyl]cyclohexanecarbaldehyde

Chemical Property of 2-[(2,4-Dimethylphenyl)amino]nicotinic acid

Chemical Property:

• Vapor Pressure: 2.19E-07mmHg at 25°C
• Boiling Point: 407.9°Cat760mmHg
• Flash Point: 200.5°C
• PSA: 62.22000
• Density: 1.25g/cm³
• LogP: 3.21320
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 242.105527694
• Heavy Atom Count: 18
• Complexity: 296

Purity/Quality:

98%Min ^*data from raw suppliers

2-[(2,4-Dimethylphenyl)amino]nicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NC2=C(C=CC=N2)C(=O)O)C

Technology Process of 2-[(2,4-Dimethylphenyl)amino]nicotinic acid

There total 4 articles about 2-[(2,4-Dimethylphenyl)amino]nicotinic acid 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: 83.0%

2-(2,4-Dimethyl-phenylamino)-nicotinonitrile (74611-48-6) → 2-(2,4-dimethyl-anilino)-nicotinic acid (17782-10-4)

Guidance literature:

With hydrogenchloride; for 20h; Heating;

DOI:10.1002/jhet.5570170206

Reference yield:

2-chloro-3-pyridinecarbonitrile (6602-54-6) → 2-(2,4-dimethyl-anilino)-nicotinic acid (17782-10-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / 1 h / 165 - 180 °C

2: 83 percent / 32percent acide hydrochlorique / 20 h / Heating

With hydrogenchloride;

DOI:10.1002/jhet.5570170206

Reference yield:

2,4-Xylidine (95-68-1) → 2-(2,4-dimethyl-anilino)-nicotinic acid (17782-10-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / 1 h / 165 - 180 °C

2: 83 percent / 32percent acide hydrochlorique / 20 h / Heating

With hydrogenchloride;

DOI:10.1002/jhet.5570170206

upstream raw materials:

2-(2,4-Dimethyl-phenylamino)-nicotinonitrile

2-chloro-3-pyridinecarbonitrile

2,4-Xylidine

Downstream raw materials:

3-Benzyl-1-(2,4-dimethyl-phenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

3-((E)-But-2-enyl)-1-(2,4-dimethyl-phenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

1-(2,4-Dimethyl-phenyl)-3-ethyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione

N-(2,4-dimethylphenyl)pyridin-2-amine

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