Coumarin 545T

Base Information

• Chemical Name: Coumarin 545T
• CAS No.: 155306-71-1
• Molecular Formula: C₂₆H₂₆N₂O₂S
• Molecular Weight: 430.571
• Hs Code.: 29349990
• European Community (EC) Number: 812-706-3
• DSSTox Substance ID: DTXSID60408462
• Nikkaji Number: J631.973D
• Wikidata: Q27122962
• Mol file: 155306-71-1.mol

Synonyms:155306-71-1;Coumarin 545T;C545T;10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-(1)benzopyropyrano(6,7-8-I,j)quinolizin-11-one;1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 10-(2-benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-;5-(1,3-Benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10-(2-benzothiazolyl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1h,5h,11h-[1]benzopyrano[6,7,8-ij]quinolizin-11-one;(ppy)2Ir(acac);C-545T;SCHEMBL871160;CHEBI:51896;DTXSID60408462;MSDMPJCOOXURQD-UHFFFAOYSA-N;BCP18976;C 545T;MFCD03427187;3-NITRO-O-DIBROMOMETHYLBENZENE;AKOS005145795;AS-75003;B4257;benzothiazolyl)quinolizino[9,9a,1gh]coumarin;FT-0653579;A847603;Q27122962;10-(2-BENZOTHIAZOLYL)-2 3 6 7-TETRAHYDR&;2,3,6,7-Tetrahydro-1,1,7,7,-tetramethyl-1H,5H,11H-10-(2-;2,3,6,7-Tetrahydro-1,1,7,7,-tetramethyl-1H,5H,11H-10-(2-benzothiazolyl)quinol;10-(1,3-Benzothiazol-2-yl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro- 1H,5H,11H-pyrano[3,2-g]pyrido[3,2,1- hi]quinoline;10-(1,3-benzothiazol-2-yl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one;10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro- 1,1,7,7-tetramethyl-1H,5H,11H-(1)benzopyropyrano (6,7-8-I,j)quinolizin -11-one;10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-(1)benzopyropyrano(6,7-8-I,j);10-(Benzo[d]thiazol-2-yl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one;1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one,10-(2-benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-;2,3,6,7-Tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-10-(2-benzothiazolyl)quinolizino[9,9a,1gh]coumarin;5-(1,3-BENZOTHIAZOL-2-YL)-10,10,16,16-TETRAMETHYL-3-OXA-13-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1,5,7,9(17)-TETRAEN-4-ONE

Chemical Property of Coumarin 545T

Chemical Property:

• Appearance/Colour: red crystalline solid
• Melting Point: 230-232 °C
• Boiling Point: 615.3 °C at 760 mmHg
• PKA: 5.45±0.70(Predicted)
• Flash Point: 325.9 °C
• PSA: 74.58000
• Density: 1.33 g/cm³
• LogP: 6.30370
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 430.17149925
• Heavy Atom Count: 31
• Complexity: 792

Purity/Quality:

99% ^*data from raw suppliers

Coumarin 545T >98.0%(N) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)(C)C)C
• Description: C545T (also known as Coumarin 545T) is a family member of?Coumarins.

Technology Process of Coumarin 545T

There total 1 articles about Coumarin 545T 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:

→ 2,3,6,7-tetrahydro-1,1,7,7,-tetramethyl-1H,5H,11H-10-(2-benzothiazolyl)quinolizino-[9,9a,1gh]coumarin (155306-71-1)

Guidance literature:

Refernces

• 1、 -. "Novel organic electroluminescent compounds and organic electroluminescent device using the same". . . Retrieved 2009/12/02.