Einecs 264-176-2

Base Information

• Chemical Name: Einecs 264-176-2
• CAS No.: 63450-66-8
• Deprecated CAS: 1362141-38-5
• Molecular Formula: C₃₂H₃₄N₂O₄S
• Molecular Weight: 542.699
• European Community (EC) Number: 264-176-2

Synonyms:EINECS 264-176-2;63450-66-8;4-[2-[6-(N-acetylanilino)hexa-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate;1H-Benz(e)indolium, 2-(6-(acetylphenylamino)-1,3,5-hexatrien-1-yl)-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt;1H-Benz(e)indolium, 2-(6-(acetylphenylamino)-1,3,5-hexatrienyl)-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt;1H-Benz[e]indolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrienyl]-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt;2-(6-(Acetylphenylamino)hexa-1,3,5-trienyl)-1,1-dimethyl-3-(4-sulphonatobutyl)-1H-benz(i)indolium;D93844;2-[6-(Acetylphenylamino)-1,3,5-hexatrienyl]-1,1-dimethyl-3-sulfobutyl-1H-benz[e]indolium Inner Salt

Chemical Property of Einecs 264-176-2

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 542.22392874
• Heavy Atom Count: 39
• Complexity: 1060

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)N(C=CC=CC=CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C4=CC=CC=C4

Technology Process of Einecs 264-176-2

There total 10 articles about Einecs 264-176-2 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: 91.65%

4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate (63149-24-6) + 5-anilino-penta-2,4-dienal-phenylimine (5608-83-3) + acetic anhydride (108-24-7) → 4-(1,1-dimethyl-2-(6-(N-phenylacetamido)hexa-1,3,5-trien-1-yl)-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate (1351043-94-1,63450-66-8)

Guidance literature:

for 0.166667h; Time;

Reference yield: 88.0%

4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate (63149-24-6) + acetic anhydride (108-24-7) + glutacondianil hydrochloride (1497-49-0) → 4-(1,1-dimethyl-2-(6-(N-phenylacetamido)hexa-1,3,5-trien-1-yl)-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate (1351043-94-1,63450-66-8)

Guidance literature:

at 100 ℃; for 1h; Inert atmosphere;

Reference yield: 72.0%

4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate (63149-24-6) + (E)-N-((2E,4E)-5-(phenylamino)penta-2,4-dienylidene)aniline hydrochloride + acetic anhydride (108-24-7) → 4-(1,1-dimethyl-2-((1E,3E,5E)-6-(N-phenylacetamido)hexa-1,3,5-trienyl)-1H-benzo[e]indolium-3-yl)butane-1-sulfonate (1351043-94-1,63450-66-8)

Guidance literature:

at 130 - 140 ℃; for 1.5h;

upstream raw materials:

2,3,3-trimethylbenzo[e]indole

4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

acetic anhydride

glutacondianil hydrochloride

Downstream raw materials:

indocyanine green

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