Coumarin 106

Base Information

• Chemical Name: Coumarin 106
• CAS No.: 41175-45-5
• Molecular Formula: C18H19 N O2
• Molecular Weight: 281.354
• Hs Code.: 29322985
• European Community (EC) Number: 255-246-3
• NSC Number: 290434
• UNII: 9RGV583D48
• DSSTox Substance ID: DTXSID5068285
• Nikkaji Number: J1.726.594F,J294.844C
• Mol file: 41175-45-5.mol

Synonyms:Coumarin 106;41175-45-5;Coumarin 478;2,3,6,7,10,11-Hexahydro-1H,5H-cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one;EINECS 255-246-3;NSC290434;1H,5H-Cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one,2,3,6,7,10,11-hexahydro-;9RGV583D48;NSC 290434;NSC-290434;1H,5H-Cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one, 2,3,6,7,10,11-hexahydro-;1H,5H-Cyclopenta(3,4)(1)benzopyrano(6,7,8-ij)quinolizin-12(9H)-one, 2,3,6,7,10,11-hexahydro-;3-oxa-16-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),5(9),11-tetraen-4-one;2,3,6,7,10,11-Hexahydro-1H,5H-cyclopenta(3,4)(1)benzopyrano(6,7,8-ij)quinolizin-12(9H)-one;1H,5H-Cyclopenta(3,4)(1)benzopyrano(6,7,8-ij)quinolizin-12(9H)-one,2,3,6,7,10,11-hexahydro-;Coumarin 107;ST083674;UNII-9RGV583D48;DTXSID5068285;SCHEMBL12153732;MFCD00041949;AKOS024285418;AS-74422;pyrido[3,2,1-ij]quinolin-12(1H)-one;C3043;CS-0364909;FT-0701393;D89534;2,3,5,6,7,9,10,11-Octahydrocyclopenta[4,5]pyrano[2,3-f];1H,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one, 2,3,6,7,10,11-hexahydro-;1H,5H-Cyclopenta[3,4][1]benzopyrano[ 6,7,8-ij]quinolizin-12(9H)-one, 2,3,6,7,10,11-hexahydro-;2,3,6,7,10,11-Hexahydro-1H,5H-cyclopenta[4,5]pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-12(9H)-one;3-OXA-16-AZAPENTACYCLO[10.7.1.0(2),(1)?.0?,?.0(1)?,(2)?]ICOSA-1,5(9),10,12(20)-TETRAEN-4-ONE;3-oxa-16-azapentacyclo[10.7.1.0?,??.0?,?.0??,??]icosa-1(20),2(10),5(9),11-tetraen-4-one

Chemical Property of Coumarin 106

Chemical Property:

• Vapor Pressure: 1.17E-11mmHg at 25°C
• Melting Point: 149 ºC
• Boiling Point: 538.4°C at 760 mmHg
• PKA: 6.38±0.20(Predicted)
• Flash Point: 210.7°C
• PSA: 33.45000
• Density: 1.32g/cm³
• LogP: 3.04550
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 281.141578849
• Heavy Atom Count: 21
• Complexity: 511

Purity/Quality:

99% ^*data from raw suppliers

Coumarin 478 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C1)C(=O)OC3=C2C=C4CCCN5C4=C3CCC5

Technology Process of Coumarin 106

There total 1 articles about Coumarin 106 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:

→ 2,3,6,7,10,11-hexahydro-1H,5H-cyclopenta(3,4)(1)benzopyrano(6,7,8-ij)quinolizin-12(9H)-one (41175-45-5)

Guidance literature:

Hydroxyjulolidine, Cyclopentanonecarboxylat;

Refernces