Malachite green cation

Base Information

• Chemical Name: Malachite green cation
• CAS No.: 10309-95-2
• Deprecated CAS: 68123-26-2,859745-72-5
• Molecular Formula: C₂₃H₂₅N₂
• Molecular Weight: 329.465
• UNII: AWT9R95TV1
• DSSTox Substance ID: DTXSID3043784
• Nikkaji Number: J1.858I,J366.497J
• Wikidata: Q27890431
• Metabolomics Workbench ID: 148378
• ChEMBL ID: CHEMBL1181633
• Mol file: 10309-95-2.mol

Synonyms:(4-(4-(dimethylamino) alpha-phenylbenzylidene)-2,5- cyclohexadien-1-ylidene)dimethylammonium chloride;basic green 4;C.I. 42000;malachite green;malachite green benzoate;malachite green chloride;malachite green, acetate salt;malachite green, hydrogen sulfate;malachite green, oxalate (1:1);malachite green, oxalate (2:1);malachite green, oxalate (4:1)

Chemical Property of Malachite green cation

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 6.25000
• Density: g/cm³
• LogP: 4.39360
• Water Solubility.: 1486 mg l-1 (e)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 329.201773806
• Heavy Atom Count: 25
• Complexity: 516

Purity/Quality:

99.9% ^*data from raw suppliers

MALACHITE GREEN CATION 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3

Technology Process of Malachite green cation

There total 13 articles about Malachite green cation 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: 99.0%

bis(4-dimethylaminophenyl)phenylmethane (129-73-7) → malachit green (10309-95-2,14426-28-9)

Guidance literature:

With hydrogenchloride; lead dioxide; In water; at 20 ℃;

DOI:10.1021/tx0256679

Reference yield:

2-[Bis-(4-dimethylamino-phenyl)-phenyl-methylsulfanyl]-ethanol → malachit green (10309-95-2,14426-28-9) + 2-hydroxyethanethiol (60-24-2)

Guidance literature:

In water; at 25 ℃; Equilibrium constant;

DOI:10.1021/ja00518a030

Reference yield:

1,1-bis(4-dimethylaminophenyl)-1-phenyl-methanol (510-13-4) → malachit green (10309-95-2,14426-28-9)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

bis(4-dimethylaminophenyl)phenylmethane

1,1-bis(4-dimethylaminophenyl)-1-phenyl-methanol

benzoyl chloride

N,N-dimethyl-aniline

Downstream raw materials:

bis(4-N,N-dimethylaminophenyl)phenylacetonitrile

1,1-bis(4-dimethylaminophenyl)-1-phenyl-methanol

bis(4-dimethylaminophenyl)phenylmethane

bis-(p-N,N-dimethylaminophenyl)phenylmethyl methyl ether