CAS No.247257-48-3,2-Butyl-5-dimethylaminothiocarbonylmethyl-6-methyl-3-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]pyrimidin-4(3H)-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	247257-48-3
Name:	2-Butyl-5-dimethylaminothiocarbonylmethyl-6-methyl-3-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]pyrimidin-4(3H)-one
Article Data:	5

Formula:	C27H31 N7 O S
Molecular Weight:	501.655
Synonyms:	5-Pyrimidineethanethioamide,2-butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-(9CI);2-n-Butyl-5-dimethylaminothiocarbonylmethyl-6-methyl-3-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]pyrimidin-4(3H)-one;Fimasartan;
Density:	1.25
Boiling Point:	693.0±65.0 °C(Predicted)
Appearance:	white-off powder or granule
PSA:	124.68000
LogP:	4.22120

Synthetic route

: 1361024-52-3
2-n-butyl-5-(N,N-dimethylaminothioformylmethyl)-6-methyl-3-[[2'-(N-triphenylmethyl-5-tetrazolyl)biphenyl]-4-methyl]pyrimidin-4-one

: 247257-48-3
Fimasartan

Conditions

Conditions	Yield
With acetic acid In tetrahydrofuran; water for 2h; Reflux;	92%
With hydrogenchloride In methanol; water for 3h; Reflux;	80%
With hydrogenchloride; water In methanol Reflux;

: BR-A-557

: 247257-48-3
Fimasartan

Conditions

Conditions	Yield
With Lawessons reagent In toluene for 3h; Reflux;	80%

: 503155-65-5
C13H20N2O3

: 247257-48-3
Fimasartan

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: lithium hydride / ethyl acetate; N,N-dimethyl-formamide 2: water; sodium hydroxide / methanol / 20 °C 3: 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide / chloroform 4: Lawessons reagent / toluene / Reflux 5: hydrogenchloride; water / methanol / Reflux View Scheme

: 503155-66-6
C46H44N6O3

: 247257-48-3
Fimasartan

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: water; sodium hydroxide / methanol / 20 °C 2: 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide / chloroform 3: Lawessons reagent / toluene / Reflux 4: hydrogenchloride; water / methanol / Reflux View Scheme

: 1361024-33-0
C44H40N6O3

: 247257-48-3
Fimasartan

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide / chloroform 2: Lawessons reagent / toluene / Reflux 3: hydrogenchloride; water / methanol / Reflux View Scheme

: 503155-67-7
2-n-butyl-5-dimethylaminocarbonylmethyl-6-methyl-3-[[2'-(N-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyl]pyrimidin-4(3H)-one

: 247257-48-3
Fimasartan

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Lawessons reagent / toluene / Reflux 2: hydrogenchloride; water / methanol / Reflux View Scheme
Multi-step reaction with 2 steps 1: P2S5-pyridine / toluene / 3 h / Reflux 2: hydrogenchloride / methanol; water / 3 h / Reflux View Scheme

: 110-59-8
pentanonitrile

: 247257-48-3
Fimasartan

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: hydrogenchloride / methanol / 0 °C 2: sodium ethanolate / ethanol 3: lithium hydride / ethyl acetate; N,N-dimethyl-formamide 4: water; sodium hydroxide / methanol / 20 °C 5: 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide / chloroform 6: Lawessons reagent / toluene / Reflux 7: hydrogenchloride; water / methanol / Reflux View Scheme
Multi-step reaction with 6 steps 1.1: hydrogenchloride / methanol / 9 h / 0 - 10 °C 1.2: 0 - 20 °C / pH 8.5 2.1: potassium hydroxide / methanol / 15 h / 20 °C 3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 4-methyl-morpholine / dichloromethane / 5 h / 0 - 20 °C / Inert atmosphere 4.1: Lawessons reagent / toluene / 2 h / 110 °C / Inert atmosphere 5.1: lithium hydride / N,N-dimethyl-formamide; hexane / 1 h / 0 °C / Inert atmosphere 5.2: 24 h / 70 °C / Inert atmosphere 6.1: acetic acid / tetrahydrofuran; water / 2 h / Reflux View Scheme

Yield

Multi-step reaction with 7 steps
1: hydrogenchloride / methanol / 0 °C
2: sodium ethanolate / ethanol
3: lithium hydride / ethyl acetate; N,N-dimethyl-formamide
4: water; sodium hydroxide / methanol / 20 °C
5: 4-methyl-morpholine; benzotriazol-1-ol; dicyclohexyl-carbodiimide / chloroform
6: Lawessons reagent / toluene / Reflux
7: hydrogenchloride; water / methanol / Reflux
View Scheme

Multi-step reaction with 6 steps
1.1: hydrogenchloride / methanol / 9 h / 0 - 10 °C
1.2: 0 - 20 °C / pH 8.5
2.1: potassium hydroxide / methanol / 15 h / 20 °C
3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 4-methyl-morpholine / dichloromethane / 5 h / 0 - 20 °C / Inert atmosphere
4.1: Lawessons reagent / toluene / 2 h / 110 °C / Inert atmosphere
5.1: lithium hydride / N,N-dimethyl-formamide; hexane / 1 h / 0 °C / Inert atmosphere
5.2: 24 h / 70 °C / Inert atmosphere
6.1: acetic acid / tetrahydrofuran; water / 2 h / Reflux
View Scheme

: 1315478-13-7
(2-(2-n-butyl-4-hydroxy-6-methyl-pyrimidin-5-yl)-N,N-dimethylacetamide)

: 247257-48-3
Fimasartan

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: lithium hydride / toluene; N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere 1.2: 24 h / 80 - 85 °C 2.1: zinc(II) chloride; sodium azide / N,N-dimethyl-formamide / 28 h / 80 - 130 °C / Inert atmosphere 2.2: 0 - 5 °C 3.1: Lawessons reagent / toluene / 3 h / Reflux View Scheme
Multi-step reaction with 3 steps 1.1: Lawessons reagent / toluene / 2 h / 110 °C / Inert atmosphere 2.1: lithium hydride / N,N-dimethyl-formamide; hexane / 1 h / 0 °C / Inert atmosphere 2.2: 24 h / 70 °C / Inert atmosphere 3.1: acetic acid / tetrahydrofuran; water / 2 h / Reflux View Scheme

: 1315478-14-8
methyl 2-(N,N-dimethylaminocarbonylmethyl)acetoacetate

: 247257-48-3
Fimasartan

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sodium hydroxide / methanol / 0.5 h / Cooling with ice 1.2: 10 h / 30 °C / Cooling with ice 2.1: lithium hydride / toluene; N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere 2.2: 24 h / 80 - 85 °C 3.1: zinc(II) chloride; sodium azide / N,N-dimethyl-formamide / 28 h / 80 - 130 °C / Inert atmosphere 3.2: 0 - 5 °C 4.1: Lawessons reagent / toluene / 3 h / Reflux View Scheme

Yield

Multi-step reaction with 4 steps
1.1: sodium hydroxide / methanol / 0.5 h / Cooling with ice
1.2: 10 h / 30 °C / Cooling with ice
2.1: lithium hydride / toluene; N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere
2.2: 24 h / 80 - 85 °C
3.1: zinc(II) chloride; sodium azide / N,N-dimethyl-formamide / 28 h / 80 - 130 °C / Inert atmosphere
3.2: 0 - 5 °C
4.1: Lawessons reagent / toluene / 3 h / Reflux
View Scheme

: 1315478-15-9
ethyl 2-(N,N-dimethylaminocarbonylmethyl)acetoacetate

: 247257-48-3
Fimasartan

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sodium hydroxide / ethanol / 0.5 h / Cooling with ice 1.2: 10 h / 30 °C / Cooling with ice 2.1: lithium hydride / toluene; N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere 2.2: 24 h / 80 - 85 °C 3.1: zinc(II) chloride; sodium azide / N,N-dimethyl-formamide / 28 h / 80 - 130 °C / Inert atmosphere 3.2: 0 - 5 °C 4.1: Lawessons reagent / toluene / 3 h / Reflux View Scheme

Yield

Multi-step reaction with 4 steps
1.1: sodium hydroxide / ethanol / 0.5 h / Cooling with ice
1.2: 10 h / 30 °C / Cooling with ice
2.1: lithium hydride / toluene; N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere
2.2: 24 h / 80 - 85 °C
3.1: zinc(II) chloride; sodium azide / N,N-dimethyl-formamide / 28 h / 80 - 130 °C / Inert atmosphere
3.2: 0 - 5 °C
4.1: Lawessons reagent / toluene / 3 h / Reflux
View Scheme