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Name	Coumarin 102	EINECS	255-285-6
CAS No.	41267-76-9	Density	1.284 g/cm³
PSA	33.45000	LogP	2.86520
Solubility	N/A	Melting Point	152-156 °C(lit.)
Formula	C₁₆H₁₇NO₂	Boiling Point	486.862 °C at 760 mmHg
Molecular Weight	255.316	Flash Point	194.905 °C
Transport Information	N/A	Appearance	yellow needle-like crystals
Safety	37/39-26	Risk Codes	36/37/38-20/21/22
Molecular Structure		Hazard Symbols	Xn
Synonyms	2,3,6,7-Tetrahydro-9-methyl-1H,5H-quinolizino[9,1-gh]coumarin;C 102;Coumarin 480;Exciton 480;K 102;NSC 290431;	Article Data	6

Coumarin 102 Synthetic route

: 1386264-02-3
8-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine) but-2-ynoate

: 41267-76-9
coumarin 102

Conditions

Conditions	Yield
With silver hexafluoroantimonate; (triphenylphosphine)gold(I) chloride In 1,4-dioxane; 1,2-dichloro-ethane at 20℃; Reagent/catalyst; Sealed tube; regioselective reaction;	91%
With C64H108AuClN2O33 In water at 37℃; for 42h; Reagent/catalyst; Inert atmosphere; Schlenk technique; regioselective reaction;	52%

: 1386264-12-5
8-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine) 5-(tert-butoxycarbonylamino)hex-2-ynoate

: 41267-76-9
coumarin 102

Conditions

Conditions	Yield
With silver hexafluoroantimonate; (triphenylphosphine)gold(I) chloride In 1,4-dioxane; 1,2-dichloro-ethane at 20℃; Reagent/catalyst; Sealed tube; regioselective reaction;	90%

: 41175-50-2
8-hydroxyjulolidine

: 105-45-3
acetoacetic acid methyl ester

: 41267-76-9
coumarin 102

Conditions

Conditions	Yield
With triisopropoxytitanium(IV) chloride In toluene for 16h; Pechmann condensation; Reflux;	73%

: 41175-50-2
8-hydroxyjulolidine

: 141-97-9
ethyl acetoacetate

: 41267-76-9
coumarin 102

Conditions

Conditions	Yield
With sulfuric acid at 130℃; for 0.2h; Irradiation;	62%

: 110-91-8
morpholine

: 50-00-0
formaldehyd

: 41267-76-9
coumarin 102

: 142878-51-1
8-Methyl-9-morpholin-4-ylmethyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one

Conditions

Conditions	Yield
With acetic acid	92%

: 41267-76-9
coumarin 102

: 127321-52-2
9-bromo-8-methyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one

Conditions

Conditions	Yield
With N-Bromosuccinimide In acetonitrile for 0.166667h;	88%
With N-Bromosuccinimide In acetonitrile

: 41267-76-9
coumarin 102

: 133590-31-5
9-Chloro-8-methyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one

Conditions

Conditions	Yield
With copper dichloride In acetonitrile for 0.5h; Heating;	85%

: 41267-76-9
coumarin 102

: 133590-32-6
2,3,6,7-tetrahydro-9-methyl-10-iodo-1H,5H-quinolizino<9,9a,1-gh>coumarin

Conditions

Conditions	Yield
With pyridine; iodine In 1,4-dioxane	82%

: 41267-76-9
coumarin 102

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 6-methyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbaldehyde

Conditions

Conditions	Yield
With trichlorophosphate for 1.083h; Inert atmosphere;	80.8%

: 50-00-0
formaldehyd

: 41267-76-9
coumarin 102

: 2439-55-6
N-methyl-1-octadecylamine

: 138977-14-7
8-Methyl-9-[(methyl-octadecyl-amino)-methyl]-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one

Conditions

Conditions	Yield
With acetic acid	72%

Coumarin 102 Chemical Properties

MF: C₁₆H₁₇NO₂
MW: 255.31
EINECS: 255-285-6
Density: 1.28 g/cm³
Flash Point: 194.9 °C
Index of Refraction: 1.647
Melting Point: 152-156 °C(lit.)
Enthalpy of Vaporization: 75.27 kJ/mol
Boiling Point: 486.9 °C at 760 mmHg
Vapour Pressure: 1.25E-09 mmHg at 25°C
Appearance of Coumarin 102 (CAS NO.41267-76-9): yellow needle-like crystals
Synonyms: 8-Methyl-2,3,5,6-1H,4H-tetrahydroquinolizino[9,9a,1-gh]coumarin ; 8-Methyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo(de)anthracen-10-one
Following is the molecular structure of Coumarin 102 (CAS NO.41267-76-9):

Coumarin 102 Safety Profile

Safety Information of Coumarin 102 (CAS NO.41267-76-9):
Hazard Codes: Xn Irritant
Risk Statements: 36/37/38-20/21/22
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 37/39-26
S37/39: Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: DJ3320000

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