Leucocrystal Violet

Base Information

• Chemical Name: Leucocrystal Violet
• CAS No.: 603-48-5
• Deprecated CAS: 11098-97-8,161051-62-3,161051-62-3
• Molecular Formula: C25H31N3
• Molecular Weight: 373.541
• Hs Code.: 32041990
• European Community (EC) Number: 210-043-9
• NSC Number: 7338
• UNII: 3LBR3LR8FS
• DSSTox Substance ID: DTXSID3060530
• Nikkaji Number: J43.062E
• Wikidata: Q72487357
• ChEMBL ID: CHEMBL81595
• Mol file: 603-48-5.mol

Synonyms:leucogentian violet

Chemical Property of Leucocrystal Violet

Chemical Property:

• Appearance/Colour: lavender-coloured powder
• Vapor Pressure: 2.61E-11mmHg at 25°C
• Melting Point: 175-180 °C
• Refractive Index: 1.627
• Boiling Point: 529.8 °C at 760 mmHg
• PKA: 5.93±0.24(Predicted)
• Flash Point: 281.8 °C
• PSA: 9.72000
• Density: 1.077 g/cm³
• LogP: 5.06480
• Storage Temp.: Amber Vial, Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 373.251798002
• Heavy Atom Count: 28
• Complexity: 370

Purity/Quality:

99.9% ^*data from raw suppliers

LeucoGentianViolet ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Di- and Triaryl Dyes
• Canonical SMILES: CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
• Recent ClinicalTrials: Chemotherapy With Liposomal Cytarabine CNS Prophylaxis for Adult Acute Lymphoblastic Leukemia & Lymphoblastic Lymphoma
• Uses: A metabolite of Gentian Violet in seafood products A metabolite of Gentian Violet in seafood products. Dyes and metabolites, Environmental Testing

Technology Process of Leucocrystal Violet

There total 79 articles about Leucocrystal Violet 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: 95.0%

4,4'-bis(dimethylamino)benzhydrol (119-58-4) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → tris[4-(dimethylamino)phenyl]methane (603-48-5)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 12h; Heating;

Reference yield: 85.0%

1H-imidazole (288-32-4) + acetic anhydride (108-24-7) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → tris[4-(dimethylamino)phenyl]methane (603-48-5)

Guidance literature:

at 140 ℃; for 1h;

DOI:10.1016/0040-4020(80)80230-4

Reference yield: 80.0%

2-(formylamino)pyridine (34813-97-3) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → tris[4-(dimethylamino)phenyl]methane (603-48-5)

Guidance literature:

2-(formylamino)pyridine; With trichlorophosphate; at 80 ℃; for 2h;

N,N-dimethyl-aniline; at 90 ℃; for 18h; Further stages.;

DOI:10.1039/b006148o

upstream raw materials:

diazomethane

crystal violet

acetone

formic acid

Downstream raw materials:

4,4'-methylene-bis(N,N-dimethylaniline)

N,N-dimethyl-aniline

tris-[4-(dimethyl-oxy-amino)-phenyl]-methane

crystal violet

Refernces

• 1、 Indig, Guilherme L.. "Mechanism of dye bleaching upon laser excitation of crystal violet bound to bovine serum albumin". . p. 243 - 244. Retrieved 1997.
• 2、 Jones, Guilford,Goswami, Kisholoy. "PHOTOREDUCTION OF CRYSTAL VIOLET IN ISOPROPYL ALCOHOL. MECHANISMS INVOLVING A LEUCO ETHER DERIVATIVE AND DYE ION PAIRS". . p. 5414 - 5419. Retrieved 1986.
• 3、 Kahn,Petrow. "-". . p. 858,861. Retrieved 1945.
• 4、 Xu, Yang,Wang, Tianqi,He, Zidong,Zhou, Minghong,Yu, Wei,Shi, Buying,Huang, Kun. "Organic ligands incorporated hypercrosslinked microporous organic nanotube frameworks for accelerating mass transfer in efficient heterogeneous catalysis". . p. 112 - 119. Retrieved 2017/05/18.
• 5、 Behbahani, Farahnaz K.,Khademloo, Elham. "Solvent-free synthesis of 4,4-diaminotriarylmethanes-leuco malachite materials in the presence of FePO4". . p. 1507 - 1510. Retrieved 2015/02/05.