1(3H)-Isobenzofuranone, 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-

Base Information

• Chemical Name: 1(3H)-Isobenzofuranone, 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-
• CAS No.: 50292-95-0
• Deprecated CAS: 129770-47-4,150422-11-0,220555-75-9,84136-03-8,150422-11-0,220555-75-9,84136-03-8
• Molecular Formula: C42H52N2O2
• Molecular Weight: 616.887
• Hs Code.: 2934999090
• European Community (EC) Number: 256-524-7
• DSSTox Substance ID: DTXSID4068539
• Nikkaji Number: J39.380K
• Wikidata: Q72500663
• Mol file: 50292-95-0.mol

Synonyms:50292-95-0;Pergascript Red 16;3,3-Bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one;Pergascript Red I 6B;1(3H)-Isobenzofuranone, 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-;3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one;C42H52N2O2;EINECS 256-524-7;3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-1(3H)-Isobenzofuranone;3,3-Bis(2-methyl-1-octyl-1H-indol-3-yl)phthalide;3,3-Bis(N-octyl-2-methylindol-3-yl)phthalide;RED DE16;3,3'-Bis(1-n-octyl-2-methylindol-3-yl)phthalide;SCHEMBL311993;DTXSID4068539;AMY33477;MFCD09838640;AKOS025311119;C42-H52-N2-O2;AS-15347;CS-0136835;FT-0711880;D71199;A923724;3,3-Bis(1-octyl-2-methyl-1H-indol-3-yl)phthalide;W-105976;3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-1,3-dihydro-2-benzofuran-1-one

Chemical Property of 1(3H)-Isobenzofuranone, 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-

Chemical Property:

• Appearance/Colour: White to fluorescent powder
• Vapor Pressure: 1.56E-22mmHg at 25°C
• Melting Point: 91-94ºC
• Refractive Index: 1.592
• Boiling Point: 752.6 °C at 760 mmHg
• Flash Point: 409 °C
• PSA: 36.16000
• Density: 1.09 g/cm³
• LogP: 11.39610
• Storage Temp.: -20°C
• XLogP3: 12.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 616.40287891
• Heavy Atom Count: 46
• Complexity: 898

Purity/Quality:

99.9% ^*data from raw suppliers

Pergascript Red 16 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCCCCCC)C)C
• Uses: 3,3-Bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one (CAS# 50292-95-0) is an organic dye, and after further functionalization, is used to prepare sultine colour-formers for carbonless imaging.

Technology Process of 1(3H)-Isobenzofuranone, 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-

There total 1 articles about 1(3H)-Isobenzofuranone, 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)- 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:

→ 3,3-bis(1'-n-octyl-2'-methylindol-3'-yl)-phthalide (50292-95-0)

Guidance literature:

d.Phthalsaeureanhydrid, d. Indol;

Reference yield:

bis(2-hydroxyethyl) disulfide (1892-29-1) + toluene-4-sulfonic acid (104-15-4) + 3,3-bis(1'-n-octyl-2'-methylindol-3'-yl)-phthalide (50292-95-0) → 2C7H7O3S(1-)*C88H112N4O4S2(2+)

Guidance literature:

In chloroform; for 96h; Heating / reflux;

Refernces