CAS No.747412-49-3,5-[2,4-Dihydroxy-5-isopropylphenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-3-isoxazolecarboxamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	747412-49-3
Name:	5-[2,4-Dihydroxy-5-isopropylphenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-3-isoxazolecarboxamide

Formula:	C₂₆H₃₁N₃O₅
Molecular Weight:	465.549
Synonyms:	NVP-AUY922;VER 52296;5-[2,4-Dihydroxy-5-isopropylphenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-3-isoxazolecarboxamide;
Density:	1.234 g/cm³
Boiling Point:	640.1°C at 760 mmHg
Flash Point:	340.9°C
PSA:	108.06000
LogP:	4.45390

Synthetic route

: 5-(2,4-bis-benzyloxy-5-isopropyl-phenyl)-4-(4-morpholin-4-ylmethyl-phenyl)-isoxazole-3-carboxylic acid ethylamide

: 747412-49-3
5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-morpholin-4-ylmethylphenyl)isoxazole-3-carboxylic acid ethylamide

Conditions

Conditions	Yield
With boron trichloride In dichloromethane at 20℃; for 1.5h;
With boron trichloride In dichloromethane at 0℃; for 0.5h;

: 747412-49-3
5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-morpholin-4-ylmethylphenyl)isoxazole-3-carboxylic acid ethylamide

: 75-75-2
methanesulfonic acid

: 5-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(4-morpholin-4-ylmethyl-phenyl)-isoxazole-3-carboxylic acid ethylamide mesylate

Conditions

Conditions	Yield
In tert-butyl methyl ether; water; acetone at 0 - 45℃; for 26 - 26.5833h; Product distribution / selectivity;	85%

: cholesteryl hemi-4-oxaglutarate

: 747412-49-3
5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-morpholin-4-ylmethylphenyl)isoxazole-3-carboxylic acid ethylamide

: AUY922-diglycolate-cholesterol

Conditions

Conditions	Yield
With dmap; diisopropyl-carbodiimide In dichloromethane at 19℃; for 4.25h; Inert atmosphere;	24%

: 747412-49-3
5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-morpholin-4-ylmethylphenyl)isoxazole-3-carboxylic acid ethylamide

: 5-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(4-morpholin-4-ylmethyl-phenyl)-isoxazole-3-carboxylic acid ethylamide hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water; ethyl acetate at 25℃;

: 747412-49-3
5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-morpholin-4-ylmethylphenyl)isoxazole-3-carboxylic acid ethylamide

: 74124-79-1
di(succinimido) carbonate

: N-ε-4-methyltrityl-L-lysine

: 75286-49-6, 75368-95-5
S-trityl-2-mercaptopropionic acid

: 60-24-2
2-hydroxyethanethiol

: 5-carboxy-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate

A: C108H153N23O19S2

B: C108H153N23O19S2

Conditions

Conditions	Yield
Stage #1: N-ε-4-methyltrityl-L-lysine; S-trityl-2-mercaptopropionic acid With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide Rink amide MBHA resin; Stage #2: With chlorotriisopropylsilane; trifluoroacetic acid In dichloromethane for 0.5h; Stage #3: 5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-morpholin-4-ylmethylphenyl)isoxazole-3-carboxylic acid ethylamide; di(succinimido) carbonate; 2-hydroxyethanethiol; 5-carboxy-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate Further stages;

Yield

Stage #1: N-ε-4-methyltrityl-L-lysine; S-trityl-2-mercaptopropionic acid With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide Rink amide MBHA resin;
Stage #2: With chlorotriisopropylsilane; trifluoroacetic acid In dichloromethane for 0.5h;
Stage #3: 5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-morpholin-4-ylmethylphenyl)isoxazole-3-carboxylic acid ethylamide; di(succinimido) carbonate; 2-hydroxyethanethiol; 5-carboxy-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate Further stages;

...Expand

: 747412-49-3
5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-morpholin-4-ylmethylphenyl)isoxazole-3-carboxylic acid ethylamide

: 74124-79-1
di(succinimido) carbonate

: C84H130N15O15PolS3

: 75286-49-6, 75368-95-5
S-trityl-2-mercaptopropionic acid

: 60-24-2
2-hydroxyethanethiol

A: C77H121N19O14S2

B: C77H121N19O14S2

Conditions

Conditions	Yield
Stage #1: C84H130N15O15PolS3; S-trityl-2-mercaptopropionic acid With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide Rink amide MBHA resin; Stage #2: With chlorotriisopropylsilane; trifluoroacetic acid In water for 0.5h; Stage #3: 5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-morpholin-4-ylmethylphenyl)isoxazole-3-carboxylic acid ethylamide; di(succinimido) carbonate; 2-hydroxyethanethiol Further stages;

Yield

Stage #1: C84H130N15O15PolS3; S-trityl-2-mercaptopropionic acid With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide Rink amide MBHA resin;
Stage #2: With chlorotriisopropylsilane; trifluoroacetic acid In water for 0.5h;
Stage #3: 5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-morpholin-4-ylmethylphenyl)isoxazole-3-carboxylic acid ethylamide; di(succinimido) carbonate; 2-hydroxyethanethiol Further stages;

...Expand

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Chemistry

Following is the structure of 3-Isoxazolecarboxamide,5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]- (CAS NO.747412-49-3):

Molecular Formula: C₂₆H₃₁N₃O₅
Molecular Weight: 465.54 g/mol
Density of 3-Isoxazolecarboxamide,5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]- (CAS NO.747412-49-3): 1.234 g/cm³

Specification

3-Isoxazolecarboxamide,5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]- , its cas register number 747412-49-3. It also can be called VER 52296 ; AUY922 ; and NVP-AUY922 .