4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1)

Modify Date: 2024-01-04 17:30:35

4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1) Structure
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1) structure
 Common Name 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1)
CAS Number 76536-69-1 Molecular Weight 857.04700
Density 1.19g/cm3 Boiling Point 588.5ºC at 760 mmHg
Molecular Formula C50H60N6O7 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-(N-ethyl-2,4,6-trimethylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

 Chemical & Physical Properties

Density 1.19g/cm3
Boiling Point 588.5ºC at 760 mmHg
Molecular Formula C50H60N6O7
Molecular Weight 857.04700
Exact Mass 856.45200
PSA 122.41000
LogP 9.06930
Index of Refraction 1.603

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW7720000
CAS REGISTRY NUMBER :
76536-69-1
LAST UPDATED :
198803
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C25-H29-N3-O3.1/2H2-O
MOLECULAR WEIGHT :
428.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 27,1470,1984

 Synthetic Route

Ethyl iodide structure

Ethyl iodide

CAS#:75-03-6
9,10-dimethoxy-2-(2,4,6-trimethylanilino)-6,7-dihydro-4H-pyrimido(6,1-a)isoquinolin-4-one structure

9,10-dimethoxy-...

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~48%

4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1) Structure

4H-Pyrimido(6,1...

CAS#:76536-69-1

3-ethyl-9,10-dimethoxy-2-(2,4,6-trimethyl-phenylimino)-2,3,6,7-tetrahydro-pyrimido[6,1-a]isoquinolin-4-one structure

3-ethyl-9,10-di...

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Literature: Lal; Dohadwalla; Dadkar; D'Sa; de Souza Journal of Medicinal Chemistry, 1984 , vol. 27, # 11 p. 1470 - 1480
Urea,N-[2-(3,4-dimethoxyphenyl)ethyl]- structure

Urea,N-[2-(3,4-...

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4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1) Structure

4H-Pyrimido(6,1...

CAS#:76536-69-1
Literature: Lal; Dohadwalla; Dadkar; D'Sa; de Souza Journal of Medicinal Chemistry, 1984 , vol. 27, # 11 p. 1470 - 1480
1-(carbamoylmethylene)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline structure

1-(carbamoylmet...

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4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1) Structure

4H-Pyrimido(6,1...

CAS#:76536-69-1
Literature: Lal; Dohadwalla; Dadkar; D'Sa; de Souza Journal of Medicinal Chemistry, 1984 , vol. 27, # 11 p. 1470 - 1480
2-Chloro-6,7-dihydro-9,10-dimethoxy-4H-pyrimido[6,1-a]isoquinolin-4-one structure

2-Chloro-6,7-di...

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~%

4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1) Structure

4H-Pyrimido(6,1...

CAS#:76536-69-1
Literature: Lal; Dohadwalla; Dadkar; D'Sa; de Souza Journal of Medicinal Chemistry, 1984 , vol. 27, # 11 p. 1470 - 1480
4-nitrophenyl decanoyl-L-phenylalaninate structure

4-nitrophenyl d...

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~%

4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1) Structure

4H-Pyrimido(6,1...

CAS#:76536-69-1
Literature: Lal; Dohadwalla; Dadkar; D'Sa; de Souza Journal of Medicinal Chemistry, 1984 , vol. 27, # 11 p. 1470 - 1480
9,10-Dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido(6,1-a)isoquinolin-2,4-dione structure

9,10-Dimethoxy-...

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~%

4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1) Structure

4H-Pyrimido(6,1...

CAS#:76536-69-1
Literature: Lal; Dohadwalla; Dadkar; D'Sa; de Souza Journal of Medicinal Chemistry, 1984 , vol. 27, # 11 p. 1470 - 1480
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Chemsrc provides CAS#:76536-69-1 MSDS, density, melting point, boiling point, structure, etc. Its name is 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1)>> amp version: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(eth yl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1)

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