Astrafloksin

Base Information

• Chemical Name: Astrafloksin
• CAS No.: 6320-14-5
• Molecular Formula: C25H29ClN2
• Molecular Weight: 392.972
• European Community (EC) Number: 228-668-0
• NSC Number: 31780
• Mol file: 6320-14-5.mol

Synonyms:Astrafloksin;Basic Red 12;6320-14-5;Astraphloxin;Cosmophloxine F;Brilliant Pink AS;Astraphloxine;Astra Phloxine;C.I. Basic Red 12;Acronol Phloxine FF;Astra Phloxine G Extra;Aizen Astra Phloxine FF;Tokyo Aniline Astraphloxine FF;Astra Phloxine G;C.I. 48070;NSC 31780;Astraphloxin G;Verona Paper Red;Calcozine Red BG Liquid;(2Z)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole,chloride;(2Z)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole;chloride;C25H29N2.Cl;EINECS 228-668-0;3H-Indolium,2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, chloride;C25-H29-N2.Cl;3H-Indolium, 2-(3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl)-1,3,3-trimethyl-, chloride;3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl- 2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl -, chloride;SCHEMBL16111523;3H-Indolium, 1,3,3-trimethyl-2-(3-(1,3,3-trimethyl-2-indolinylidene)propenyl)-, chloride;3H-Indolium, 1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-2-indolinylidene)propenyl]-, chloride;3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, chloride;NSC31780;MFCD00071911;NSC-31780;AS-13993;LS-83580;A914840;1,?3,?3-?Trimethyl-?2-?[3-?(1,?3,?3-?trimethyl-?1,?3-?di;3H-Indolium,3,3-trimethyl-2-[3-(1,3,3-trimethyl-2-indolinylidene)propenyl]-, chloride;2-[3-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-propenyl]-1,3,3-trimethyl-3H-indolium chloride;3H-Indolium,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, chloride

Chemical Property of Astrafloksin

Chemical Property:

• Appearance/Colour: gray powder
• Vapor Pressure: 0Pa at 25℃
• Boiling Point: 608.73℃[at 101 325 Pa]
• PSA: 6.25000
• Density: 1.06[at 20℃]
• LogP: 2.58810
• Storage Temp.: Room Temperature
• Solubility.: Methanol (Slightly), Water (Slightly, Sonicated)
• Water Solubility.: 26.53mg/L at 25℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 392.2019266
• Heavy Atom Count: 28
• Complexity: 623

Purity/Quality:

99.9% ^*data from raw suppliers

BasicRed12(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[Cl-]
• Isomeric SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C\3/C(C4=CC=CC=C4N3C)(C)C)C)C.[Cl-]
• Uses: Basic Red 12 is useful in colouring compositions for colour filters.

Technology Process of Astrafloksin

There total 6 articles about Astrafloksin 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:

→ 1,1′,3,3,3′,3′-hexamethylindocarbocyanine chloride (6320-14-5)

Guidance literature:

With lead dioxide; acetic acid; calcium chloride; Behandeln des Reaktionsgemisches mit wss. HCl;

Reference yield:

1,3,3-Trimethyl-2-methyleneindoline (118-12-7) + 1,3,3-trimethyl-2-formylmethyleneindoline (84-83-3) → 1,1′,3,3,3′,3′-hexamethylindocarbocyanine chloride (6320-14-5)

Guidance literature:

With trichlorophosphate; benzene;

Reference yield:

1,3,3-Trimethyl-2-methyleneindoline (118-12-7) → 1,1′,3,3,3′,3′-hexamethylindocarbocyanine chloride (6320-14-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,2-dichloro-benzene; phosphoryl chloride / anschliessendes Hydrolysieren

2: POCl₃; benzene

With 1,2-dichloro-benzene; trichlorophosphate; benzene;

upstream raw materials:

formic acid

1,3,3-Trimethyl-2-methyleneindoline

1,3,3-trimethyl-2-formylmethyleneindoline

ethyl formimidate hydrochloride

Downstream raw materials:

1,3,3-Trimethyl-2-<3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)propenyl>-3H-indolium tosylate

4-Bromo-benzoate1,3,3-trimethyl-2-{(E)-3-[1,3,3-trimethyl-1,3-dihydro-indol-(2E)-ylidene]-propenyl}-3H-indolium;