9-methylphenazine-1-carboxylic Acid

Base Information

• Chemical Name: 9-methylphenazine-1-carboxylic Acid
• CAS No.: 58718-46-0
• Molecular Formula: C14H10N2O2
• Molecular Weight: 238.24100
• DSSTox Substance ID: DTXSID00398691
• ChEMBL ID: CHEMBL4080921
• Mol file: 58718-46-0.mol

Synonyms:9-methylphenazine-1-carboxylic Acid;58718-46-0;1-Phenazinecarboxylic acid, 9-methyl-;SCHEMBL5457153;CHEMBL4080921;DTXSID00398691;9-methylphenazine-1-carboxylicAcid;9-METHYL-PHENAZINE-1-CARBOXYLIC ACID

Chemical Property of 9-methylphenazine-1-carboxylic Acid

Chemical Property:

• PSA: 63.08000
• LogP: 2.78960
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 238.074227566
• Heavy Atom Count: 18
• Complexity: 334

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)O

Technology Process of 9-methylphenazine-1-carboxylic Acid

There total 5 articles about 9-methylphenazine-1-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: 56.0%

3-Nitro-2-o-tolylamino-benzoic acid (106976-04-9) → 9-methylphenazine-1-carboxylic acid (58718-46-0)

Guidance literature:

With sodium tetrahydroborate; sodium ethanolate; In ethanol; for 1h; Heating;

DOI:10.1021/jm00388a017

Reference yield:

2-bromo-3-nitro-benzoic acid (573-54-6) → 9-methylphenazine-1-carboxylic acid (58718-46-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / CuCl, Cu, N-ethylmorpholine / various solvent(s) / 15 h / 70 - 80 °C

2: 56 percent / NaBH₄, NaOEt / ethanol / 1 h / Heating

With N-ethylmorpholine;; sodium tetrahydroborate; sodium ethanolate; copper; copper(l) chloride; In ethanol;

DOI:10.1021/jm00388a017

Reference yield:

o-toluidine (95-53-4) → 9-methylphenazine-1-carboxylic acid (58718-46-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / CuCl, Cu, N-ethylmorpholine / various solvent(s) / 15 h / 70 - 80 °C

2: 56 percent / NaBH₄, NaOEt / ethanol / 1 h / Heating

With N-ethylmorpholine;; sodium tetrahydroborate; sodium ethanolate; copper; copper(l) chloride; In ethanol;

DOI:10.1021/jm00388a017

upstream raw materials:

3-Nitro-2-o-tolylamino-benzoic acid

2-bromo-3-nitro-benzoic acid

o-toluidine

Downstream raw materials:

N-1-{[2-(N'-tert-butoxycarbonyl-N'-{[2-(N-tert-butoxycarbonyl-N-{[2-(2-phenylquinoline-8-carbonyl)amino]ethyl})amino]ethyl})amino]ethyl}-9-methylphenazine-1-carboxamide

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