Leucomalachite Green-d6

Base Information

• Chemical Name: Leucomalachite Green-d6
• CAS No.: 1173021-13-0
• Molecular Formula: C₂₃H₂₆N₂
• Molecular Weight: 336.425
• European Community (EC) Number: 687-807-7
• DSSTox Substance ID: DTXSID80583568
• Nikkaji Number: J3.581.987H
• Wikidata: Q82475149
• Mol file: 1173021-13-0.mol

Synonyms:Leucomalachite Green-d6;Leucomalachite green D6;1173021-13-0;Bis-(4-dimethylaminophenyl)phenyl-d5-methane-d1;4-[deuterio-[4-(dimethylamino)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)methyl]-N,N-dimethylaniline;Leucomalachite Green-?d6;DTXSID80583568;HY-D0300S1;YWB02113;1ST7303D6;CS-0375760;Leucomalachite Green-d6, analytical standard;F91086;J-003575;4-[Deuterio-(4-dimethylaminophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methyl]-N,N-dimethylaniline;Leucomalachite green D6 (phenylmethin D6)

Chemical Property of Leucomalachite Green-d6

Chemical Property:

• Melting Point: 103 - 105°C
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 336.247259314
• Heavy Atom Count: 25
• Complexity: 342

Purity/Quality:

NLT 98% ^*data from raw suppliers

Leucomalachite Green-d6 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)[2H])[2H]
• Uses: Leucomalachite Green-?d6 is a labeled analog of leucomalachite green (LMG) (1173021-13-0), a major metabolite of malachite green (M110400). Dyes and metabolites, Environmental Testing.

Technology Process of Leucomalachite Green-d6

There total 2 articles about Leucomalachite Green-d6 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: 65.0%

benzaldehyde-d6 (17901-93-8) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → leucomalachite green-d6 (1173021-13-0,947601-82-3)

Guidance literature:

With antimony(III) chloride; at 120 ℃; for 4h;

Reference yield:

(2)H8-toluene (2037-26-5) → leucomalachite green-d6 (1173021-13-0,947601-82-3)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid; chromium(VI) oxide / 0.17 h / 0 - 10 °C

2: sulfuric acid / ethanol / 0.5 h / Reflux

3: antimony(III) chloride / 4 h / 120 °C

With chromium(VI) oxide; sulfuric acid; antimony(III) chloride; In ethanol;

upstream raw materials:

⁽²⁾H₈-toluene

benzaldehyde-d6

N,N-dimethyl-aniline

Refernces