4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate

Base Information

• Chemical Name: 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
• CAS No.: 5573-22-8
• Molecular Formula: C41H44N3O6S2-
• Molecular Weight: 738.9351
• DSSTox Substance ID: DTXSID30409643

Synonyms:5573-22-8;AC1NPET0;DTXSID30409643

Chemical Property of 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 738.26715348
• Heavy Atom Count: 52
• Complexity: 1350

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC=C(C=C3)S(=O)(=O)[O-])C=C2)C4=CC=C(C=C4)N(CC)CC5=CC=C(C=C5)S(=O)(=O)[O-]

Technology Process of 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate

There total 5 articles about 4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate 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:

→ (2S,4aS,6aS,6bR,8aR,12aS)-11-Bromo-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carboxylic acid methyl ester (5092-18-2,5573-22-8,5610-36-6,5630-24-0,6155-02-8,121349-71-1)

Guidance literature:

Enolacetat (hergestellt aus Verb. 2a), Br2, Eisessig;

DOI:10.1021/jm00248a008

Reference yield:

→ Methyl-2β-brom-18βH-oxoglycyrrhetat (5092-18-2,5573-22-8,5610-36-6,5630-24-0,6155-02-8,121349-71-1)

Guidance literature:

Keton (II), Brom (neben 2α-Bromverb. V);

Reference yield:

→ Methyl-2α-brom-18βH-oxoglycyrrhetat (5092-18-2,5573-22-8,5610-36-6,5630-24-0,6155-02-8,121349-71-1)

Guidance literature:

Keton (II), Brom (neben 2β-Bromverb. VI);

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