3,8-Diamino-6-(4-carboxyphenyl)-5-methylphenanthridinium chloride

Base Information

• Chemical Name: 3,8-Diamino-6-(4-carboxyphenyl)-5-methylphenanthridinium chloride
• CAS No.: 52671-19-9
• Molecular Formula: C21H18 N3 O2 . Cl
• Molecular Weight: 379.83952
• Hs Code.: 2933990090
• Mol file: 52671-19-9.mol

Synonyms:Carboxymethidium;52671-19-9;3,8-Diamino-6-(4-carboxyphenyl)-5-methylphenanthridinium chloride;M and B 3492;M&B 3492;4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoic acid;chloride;Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-methyl-, chloride;C21H18N3O3.Cl;SCHEMBL7167595;SCHEMBL9390063;C21-H18-N3-O3.Cl;AKOS015894797;Phenanthridinium,3,8-diamino-6-(4-carboxyphenyl)-5-methyl-, chloride (1:1);Phenanthridinium,3,8-diamino-6-(4-carboxyphenyl)-5-methyl-,chloride(1:1);6-(4-Carboxyphenyl)-3,8-diamino-5-methylphenanthridinium chloride, >=87.0% (HPLC)

Chemical Property of 3,8-Diamino-6-(4-carboxyphenyl)-5-methylphenanthridinium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 92.10000
• Density: g/cm³
• LogP: 5.24130
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 379.1087545
• Heavy Atom Count: 27
• Complexity: 519

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=C(C=C4)C(=O)O)N)N.[Cl-]

Technology Process of 3,8-Diamino-6-(4-carboxyphenyl)-5-methylphenanthridinium chloride

There total 1 articles about 3,8-Diamino-6-(4-carboxyphenyl)-5-methylphenanthridinium chloride 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:

→ 2,7-diamino-9-(p-carboxyphenyl)-10-methylphenanthridinium chloride (52671-19-9)

Guidance literature:

o-Aminobiphenyl 3, 1. Nitrierung, 2. Kondensation, 3. Cyclisierung, 4. Hydrolyse, 5. Methylierung, 6. Reduktion;

DOI:10.1021/ja00474a075

Reference yield: 80.0%

2,7-diamino-9-(p-carboxyphenyl)-10-methylphenanthridinium chloride (52671-19-9) + C55H99N7O24S (261518-54-1) → C76H115N10O25S(1+)*Cl(1-) (1058592-96-3)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 20 ℃; for 28h; Inert atmosphere;

DOI:10.1016/j.bmcl.2008.05.090

Reference yield:

2,7-diamino-9-(p-carboxyphenyl)-10-methylphenanthridinium chloride (52671-19-9) → monoazido-p-carboxymethidium chloride (82209-35-6)

Guidance literature:

With sodium azide; isopentyl nitrite; Multistep reaction; 1.) 0.2 M HCl, H₂O, 0 deg C;

DOI:10.1021/ja00379a045

Downstream raw materials:

monoazido-p-carboxymethidium chloride

2-aminoethyl-p-carboxamide-methidium chloride

3,8-Diamino-6-(4-{3-[4-(3-amino-propylamino)-butylamino]-propylcarbamoyl}-phenyl)-5-methyl-phenanthridinium; chloride

3,8-Diamino-6-(4-{2-[((2S,3S)-3-carboxy-1,4,7,10,13,16-hexaoxa-cyclooctadecane-2-carbonyl)-amino]-ethylcarbamoyl}-phenyl)-5-methyl-phenanthridinium; chloride