(S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid supplier

Name
(S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid
EINECS 680-588-9
CAS No. 154212-61-0
Article Data11
CAS DataBase
Density 1.193 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₃N₃O₃S
Boiling Point 532.573 °C at 760 mmHg
Molecular Weight 313.421
Flash Point 275.89 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine;
PSA 110.77000
LogP 2.90800

Synthetic route

: 154248-99-4
N-((N-methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine methyl ester

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
Stage #1: N-((N-methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine methyl ester With lithium hydroxide In tetrahydrofuran; water at 20℃; for 1.5h; Stage #2: With hydrogenchloride; water In tetrahydrofuran	93%
With lithium hydroxide In 1,4-dioxane for 0.5h; Ambient temperature;
With lithium hydroxide; water In 1,4-dioxane at 25℃; for 1h;

: 126147-70-4
(2S)-3-Methyl-2-(phenoxycarbonyl)aminobutyric acid

: 154212-60-9
N-methyl-N-<(2-isopropyl-4-thiazolyl)methyl>amine

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
With NaH In tetrahydrofuran; water; toluene	83%
With NaH In tetrahydrofuran; methanol; isopropyl alcohol	24%
With NaH In tetrahydrofuran
In tetrahydrofuran; water; acetonitrile

LiOH monohydrate: LiOH monohydrate

: 126147-70-4
(2S)-3-Methyl-2-(phenoxycarbonyl)aminobutyric acid

: 154212-60-9
N-methyl-N-<(2-isopropyl-4-thiazolyl)methyl>amine

: 108-95-2
phenol

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; water; toluene	82%

...Expand

: 78221-33-7
(S)-3-methyl-2-[(2,2,2-trichloroethoxy)carbonylamino]butyric acid

: 154212-60-9
N-methyl-N-<(2-isopropyl-4-thiazolyl)methyl>amine

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 50 - 60℃; for 6h; Green chemistry;	81%

: 126147-70-4
(2S)-3-Methyl-2-(phenoxycarbonyl)aminobutyric acid

: 154212-60-9
N-methyl-N-<(2-isopropyl-4-thiazolyl)methyl>amine

: 108-95-2
phenol

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; n-heptane; water; toluene	78%

...Expand

: 6306-52-1
L-valine methylester hydrochloride

Sasrin Fmoc-valine: Sasrin Fmoc-valine

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 4-methylmorpholine / CH2Cl2 / Ambient temperature 2: DMAP, Et3N / tetrahydrofuran / 2 h / Heating 3: 0.50 M aq. LiOH / dioxane / 0.5 h / Ambient temperature View Scheme

: 154212-60-9
N-methyl-N-<(2-isopropyl-4-thiazolyl)methyl>amine

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: DMAP, Et3N / tetrahydrofuran / 2 h / Heating 2: 0.50 M aq. LiOH / dioxane / 0.5 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine; 1,1'-carbonyldiimidazole 2: sodium hydroxide; methanol View Scheme
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine; 1,1'-carbonyldiimidazole 2: sodium hydroxide / methanol View Scheme

: 162537-10-2
N-<<(4-nitrophenyl)oxy>carbonyl>-L-valine methyl ester

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: DMAP, Et3N / tetrahydrofuran / 2 h / Heating 2: 0.50 M aq. LiOH / dioxane / 0.5 h / Ambient temperature View Scheme

: 4-(Chloromethyl)-2-isopropylthiazole Hydrochloride

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: H2O / 1 h 2: DMAP, Et3N / tetrahydrofuran / 2 h / Heating 3: 0.50 M aq. LiOH / dioxane / 0.5 h / Ambient temperature View Scheme

: 1634-04-4
tert-butyl methyl ether

: 126147-70-4
(2S)-3-Methyl-2-(phenoxycarbonyl)aminobutyric acid

: 154212-60-9
N-methyl-N-<(2-isopropyl-4-thiazolyl)methyl>amine

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
With hydrogenchloride; NaH In tetrahydrofuran; water; toluene

...Expand

LiOH monohydrate: LiOH monohydrate

: 126147-70-4
(2S)-3-Methyl-2-(phenoxycarbonyl)aminobutyric acid

: 154212-60-9
N-methyl-N-<(2-isopropyl-4-thiazolyl)methyl>amine

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
In tetrahydrofuran; n-heptane; water; toluene	16.6 kg (83.8%)

...Expand

aqueous LiOH: aqueous LiOH

: 154248-99-4
N-((N-methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine methyl ester

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane; dichloromethane	1.1 g (81%)

: 6306-52-1
L-valine methylester hydrochloride

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine; 1,1'-carbonyldiimidazole 2: sodium hydroxide; methanol View Scheme

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: N-[N-methyl-N-[(2-isopropyl-4-thiazolyl)methyl]aminocarbonyl]-L-valine chloride

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane; N,N-dimethyl-formamide at 0 - 10℃; for 1h;	98.1%
With thionyl chloride; triethylamine In ethyl acetate at 45℃; for 3h; Solvent; Temperature; Reagent/catalyst;

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: 144164-11-4
(2S,3S,5S)-5-Amino-2-(N-((5-thiazolyl)-methoxycarbonyl)amino)-3-hydroxy-1,6-diphenylhexane

: 155213-67-5
ritonavir

Conditions

Conditions	Yield
Stage #1: N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine With N-ethyl-N,N-diisopropylamine; diisopropyl-carbodiimide at 27℃; for 0.5h; Stage #2: (2S,3S,5S)-5-Amino-2-(N-((5-thiazolyl)-methoxycarbonyl)amino)-3-hydroxy-1,6-diphenylhexane for 7h; Temperature;	91.5%
With diethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In butanone at 41℃; for 0.666667h; Concentration; Temperature;	87.4%
With N-ethyl-N'-(3-diethylaminopropyl)-carbodiimide; 1-hydroxybenzotriazol-hydrate In tetrahydrofuran for 16h; Ambient temperature; Yield given;
Stage #1: N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine With pivaloyl chloride; triethylamine In dichloromethane at 0 - 10℃; Inert atmosphere; Large scale; Stage #2: With dmap In dichloromethane at 0 - 10℃; for 0.5h; Large scale; Stage #3: (2S,3S,5S)-5-Amino-2-(N-((5-thiazolyl)-methoxycarbonyl)amino)-3-hydroxy-1,6-diphenylhexane In dichloromethane at 25 - 35℃; Large scale;

: 1004316-72-6
C19H27N3O2S

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C33H48N6O4S2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran	87%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine

: 144163-88-2
((1S,2S,4S)-4-amino-1-benzyl-2-hydroxy-5-phenyl-pentyl)-carbamic acid tert-butyl ester

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C37H53N5O5S

Conditions

Conditions	Yield
Stage #1: N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine With triethylamine; p-toluenesulfonyl chloride In dichloromethane at 0 - 10℃; for 3h; Green chemistry; Stage #2: ((1S,2S,4S)-4-amino-1-benzyl-2-hydroxy-5-phenyl-pentyl)-carbamic acid tert-butyl ester With triethylamine In dichloromethane at 0 - 20℃; for 6h; Green chemistry;	86%

: 1004318-14-2
C24H29N3O2S

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C38H50N6O4S2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃;	71%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine

: 890904-63-9
N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-4-(E-hydroxyiminomethyl)-N-(isobutyl)benzenesulfonamide

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: (2S)-N-{(1S,2R)-1-benzyl-2-hydroxy-3-[({4-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)(isobutyl)amino]propyl}-2-({[[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)amino]carbonyl}amino)-3-methylbutanamide

Conditions

Conditions	Yield
With 4-methyl-morpholine In DMF (N,N-dimethyl-formamide); dichloromethane at 25℃; for 16h;	53%

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: C23H34N6O4S2

Conditions

Conditions	Yield
Stage #1: ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate; 1-t-Butoxycarbonylpiperazine With N-ethyl-N,N-diisopropylamine In acetonitrile at 25℃; for 12h; Stage #2: With hydrogenchloride; water In 1,4-dioxane; ethyl acetate at 25℃; for 12h; Stage #3: N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 25℃; for 12h;	45%

Yield

Stage #1: ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate; 1-t-Butoxycarbonylpiperazine With N-ethyl-N,N-diisopropylamine In acetonitrile at 25℃; for 12h;
Stage #2: With hydrogenchloride; water In 1,4-dioxane; ethyl acetate at 25℃; for 12h;
Stage #3: N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 25℃; for 12h;

45%

: 1004317-04-7
C7H11N3O2S*ClH

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C21H32N6O4S2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 25℃; for 12h;	38%

: 73874-95-0
(piperidin-4-yl)carbamic acid tert-butyl ester

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C24H36N6O4S2

Conditions

Conditions	Yield
Stage #1: (piperidin-4-yl)carbamic acid tert-butyl ester; ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate With N-ethyl-N,N-diisopropylamine In acetonitrile at 25℃; for 12h; Stage #2: With hydrogenchloride; water In 1,4-dioxane; ethyl acetate at 25℃; for 12h; Stage #3: N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 25℃; for 12h;	36%

Yield

Stage #1: (piperidin-4-yl)carbamic acid tert-butyl ester; ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate With N-ethyl-N,N-diisopropylamine In acetonitrile at 25℃; for 12h;
Stage #2: With hydrogenchloride; water In 1,4-dioxane; ethyl acetate at 25℃; for 12h;
Stage #3: N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 25℃; for 12h;

36%

: 75178-96-0
N-Boc-1,3-diaminopropane

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C22H34N6O4S2

Conditions

Conditions	Yield
Stage #1: N-Boc-1,3-diaminopropane; ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate With N-ethyl-N,N-diisopropylamine In acetonitrile at 25℃; for 12h; Stage #2: With hydrogenchloride; water In 1,4-dioxane; ethyl acetate at 25℃; for 12h; Stage #3: N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 25℃; for 12h;	34%

Yield

Stage #1: N-Boc-1,3-diaminopropane; ((5-thiazolyl)methyl)-(4-nitrophenyl)carbonate With N-ethyl-N,N-diisopropylamine In acetonitrile at 25℃; for 12h;
Stage #2: With hydrogenchloride; water In 1,4-dioxane; ethyl acetate at 25℃; for 12h;
Stage #3: N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 25℃; for 12h;

34%

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: 162849-95-8
(2S,3S,5S)-5-(t-butyloxycarbonylamino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-3-hydroxy-1,6-diphenylhexane

: 566939-06-8
(2S,3S,5S)-3-[O-[N-[N-methyl-N-[(2-isopropyl-4-thiazolyl)methyl]amino]carbonyl]-L-valyloxy]-5-[N-[(tert-butyloxy)carbonyl]amino]-2-[N-[(5-thiazolyl)methoxycarbonyl]amino]-1,6-diphenyl-3-hydroxyhexane

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In chloroform at 20℃;	27%

: 1004316-71-5
C19H27N3O2S

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C33H48N6O4S2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran	20%

: 1004317-31-0
C13H23N3O2S

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C27H44N6O4S2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃;	2%

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: 159572-17-5
(S)-4-((2R,3S)-3-Amino-2-hydroxy-4-phenyl-butyl)-3-tert-butylcarbamoyl-piperazine-1-carboxylic acid tert-butyl ester

: 251112-23-9
(S)-3-tert-Butylcarbamoyl-4-((2R,3S)-2-hydroxy-3-{(S)-2-[3-(2-isopropyl-thiazol-4-ylmethyl)-3-methyl-ureido]-3-methyl-butyrylamino}-4-phenyl-butyl)-piperazine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With TEA; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide

: 1004317-30-9
C11H19N3O2S

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C25H40N6O4S2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃;

: 144186-34-5
(2R,5R)-1,6-diphenylhexane-2,5-diamine

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

A: 1004318-11-9
C32H45N5O2S

B: 1004318-10-8
C46H66N8O4S2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran for 12h;

...Expand

: C23H25N3O2S

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C37H46N6O4S2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃;
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine

: 1004318-31-3
C9H15N3O2S

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C23H36N6O4S2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃;
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine

: 1004318-32-4
C23H27N3O2S

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C37H48N6O4S2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃;
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine

: 1004318-33-5
1-benzylamino-3-{benzyl[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}propane

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: C36H46N6O4S2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃;

: 154212-61-0
N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine

: 251112-24-0
N'-[(1S)-1-[[[(1S,2R)-3-[(2S)-2-[[(1,1-Dimethylethyl)amino]carbonyl]-1-piperazinyl]-2-hydroxy-1-(phenylmethyl)propyl]amino]carbonyl]-2-methylpropyl]-N-methyl-N-[2-(1-methylethyl)-4-thiazolylmethyl]urea

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: EDC, TEA 2: TFA View Scheme

(S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid Chemical Properties

Systematic Name: N-(Methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valine
Synonyms of (S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid (CAS NO.154212-61-0): N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine
CAS NO: 154212-61-0
Molecular Formula: C₁₄H₂₃N₃O₃S
Molecular Weight: 313.42
Molecular Structure:
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 6
Polar Surface Area: 110.77 Å²
Index of Refraction: 1.545
Molar Refractivity: 83.088 cm³
Molar Volume: 262.635 cm³
Surface Tension: 47.697 dyne/cm
Density: 1.193 g/cm³
Flash Point: 275.89 °C
Enthalpy of Vaporization: 85.085 kJ/mol
Boiling Point: 532.573 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
SMILES: O=C(O)[C@H](NC(=O)N(Cc1nc(sc1)C(C)C)C)C(C)C
InChI: InChI=1/C14H23N3O3S/c1-8(2)11(13(18)19)16-14(20)17(5)6-10-7-21-12(15-10)9(3)4/h7-9,11H,6H2,1-5H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKey: OSQWRZICKAOBFA-LLVKDONJBM
Std. InChI: InChI=1S/C14H23N3O3S/c1-8(2)11(13(18)19)16-14(20)17(5)6-10-7-21-12(15-10)9(3)4/h7-9,11H,6H2,1-5H3,(H,16,20)(H,18,19)/t11-/m1/s1
Std. InChIKey: OSQWRZICKAOBFA-LLVKDONJSA-N

Product Name

(S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid

Synthetic route

(S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid Chemical Properties

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