3-Phenylquinoxaline-5-carboxylic acid

Base Information

• Chemical Name: 3-Phenylquinoxaline-5-carboxylic acid
• CAS No.: 162135-93-5
• Molecular Formula: C₁₅H₁₀N₂O₂
• Molecular Weight: 250.257
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00571386
• Wikidata: Q82459461
• Mol file: 162135-93-5.mol

Synonyms:3-Phenylquinoxaline-5-carboxylic acid;162135-93-5;3-PHENYL-QUINOXALINE-5-CARBOXYLIC ACID;5-Quinoxalinecarboxylic acid, 3-phenyl-;MFCD06660374;SCHEMBL1034874;DTXSID00571386;3-Phenylquinoxaline-5-carboxylicacid;AKOS005254664;DS-15327;CS-0126722;F16165;A882993

Chemical Property of 3-Phenylquinoxaline-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.94E-10mmHg at 25°C
• Refractive Index: 1.69
• Boiling Point: 486°Cat760mmHg
• Flash Point: 247.7°C
• PSA: 63.08000
• Density: 1.332g/cm³
• LogP: 2.99500
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 250.074227566
• Heavy Atom Count: 19
• Complexity: 328

Purity/Quality:

97% ^*data from raw suppliers

3-Phenylquinoxaline-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(C=CC=C3N=C2)C(=O)O

Technology Process of 3-Phenylquinoxaline-5-carboxylic acid

There total 7 articles about 3-Phenylquinoxaline-5-carboxylic 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:

2-amino-5-chloro-3-nitrobenzoic acid (6324-51-2) → 3-Phenyl-5-quinoxalinecarboxylic acid (162135-93-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.8 g / stannous chloride dihydrate / HCl / 100 °C

2: 1.6 g / H₂, KOH / Raney nickel / ethanol

3: 2.) sodium carbonate, deactivated Raney Ni / 1.) acetic acid, water (1:1), 15 min, warming; 2.) water, 70 deg C, 3 h

With potassium hydroxide; deactivated Raney Ni; hydrogen; sodium carbonate; tin(ll) chloride; nickel; In hydrogenchloride; ethanol;

DOI:10.1071/C96170

Reference yield:

2-acetylamino-5-chloro-3-nitro-benzoic acid (214638-10-5) → 3-Phenyl-5-quinoxalinecarboxylic acid (162135-93-5)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.40 g / cc. hydrochloric acid / H₂O / 1 h / Heating

2: 1.8 g / stannous chloride dihydrate / HCl / 100 °C

3: 1.6 g / H₂, KOH / Raney nickel / ethanol

4: 2.) sodium carbonate, deactivated Raney Ni / 1.) acetic acid, water (1:1), 15 min, warming; 2.) water, 70 deg C, 3 h

With hydrogenchloride; potassium hydroxide; deactivated Raney Ni; hydrogen; sodium carbonate; tin(ll) chloride; nickel; In hydrogenchloride; ethanol; water;

DOI:10.1071/C96170

Reference yield:

5-chloroanthranilic acid (635-21-2) → 3-Phenyl-5-quinoxalinecarboxylic acid (162135-93-5)

Guidance literature:

Multi-step reaction with 6 steps

1: acetic acid / 0.5 h / Heating

2: 2.0 g / cc. nitric acid / H₂SO₄ / 1 h / 0 °C

3: 1.40 g / cc. hydrochloric acid / H₂O / 1 h / Heating

4: 1.8 g / stannous chloride dihydrate / HCl / 100 °C

5: 1.6 g / H₂, KOH / Raney nickel / ethanol

6: 2.) sodium carbonate, deactivated Raney Ni / 1.) acetic acid, water (1:1), 15 min, warming; 2.) water, 70 deg C, 3 h

With hydrogenchloride; potassium hydroxide; deactivated Raney Ni; hydrogen; nitric acid; sodium carbonate; tin(ll) chloride; nickel; In hydrogenchloride; ethanol; sulfuric acid; water; acetic acid;

DOI:10.1071/C96170

upstream raw materials:

benzo-[b]thiophene-2,3-dione

phenylglyoxal hydrate

2,3-diaminobenzoic acid

2-amino-5-chloro-3-nitrobenzoic acid

Downstream raw materials:

3-phenyl-quinoxaline-5-carboxylic acid (2-dimethylamino-ethyl)-amide

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