C44H50N2O8
H-Dmt
Conditions | Yield |
---|---|
With hydrogen iodide for 3h; Reflux; | 100% |
H-Dmt
Conditions | Yield |
---|---|
With lithium hydroxide In tetrahydrofuran; water at 0℃; for 3h; | 94.8% |
H-Dmt
Conditions | Yield |
---|---|
With hydrogen iodide for 4h; Reagent/catalyst; Reflux; | 91% |
(S)-N-Boc-2,6-dimethyltyrosine
H-Dmt
Conditions | Yield |
---|---|
With hydrogenchloride In water | 83% |
H-Dmt
Conditions | Yield |
---|---|
With lithium hydroxide In tetrahydrofuran at 0℃; for 1h; | 82% |
A
(R)-N-(2-benzoyl-4-chlorophenyl)-2-((1-phenylethyl)amino)acetamide
B
H-Dmt
Conditions | Yield |
---|---|
With hydrogenchloride In methanol at 50℃; for 4h; | A n/a B 75.1% |
N-Acetyl-2,6 dimethyl-O-methyl-(S)-tyrosine methyl ester
H-Dmt
Conditions | Yield |
---|---|
With hydrogen bromide Heating; |
1-iodo-2,6-dimethyl-4-methoxybenzene
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N / Pd(OAc)2, tri-o-tolylphosphine / acetonitrile / Heating 2: H2 / BF4 / ethyl acetate / 60 °C 3: 48percent HBr / Heating View Scheme |
Methyl-(Z)-α-acetamido-β-(2,6-dimethyl-4methoxyphenyl) acrylate
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: H2 / BF4 / ethyl acetate / 60 °C 2: 48percent HBr / Heating View Scheme |
N-acetyl-2,6-dimethyl-DL-tyrosine
A
(R)-N-acetyl-2,6-dimethyltyrosine
B
H-Dmt
Conditions | Yield |
---|---|
With acylase I from porcine kidney; cobalt(II) chloride; sodium hydroxide at 40℃; for 24h; pH=8; aq. phosphate buffer; Enzymatic reaction; optical yield given as %ee; enantioselective reaction; |
(S)-N-acetyl-2,6-dimethyltyrosine
H-Dmt
Conditions | Yield |
---|---|
With hydrogenchloride; acylase I from porcine kidney at 35℃; for 72h; pH=8; Enzymatic reaction; enantioselective reaction; |
4-iodo-3,5-dimethylphenol
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: pyridine / 10 °C 1.2: 39 - 55 °C / Large scale reaction 2.1: palladium diacetate; triethylamine; tris-(o-tolyl)phosphine 3.1: [Rh(1,5-COD)(S,S-Et-FerroTANE)]BF4; hydrogen / ethyl acetate / 16 h / 60 °C / 3750.38 Torr 4.1: hydrogenchloride; water / 30 - 90 °C 4.2: 40 - 47 °C / pH 4 View Scheme | |
Multi-step reaction with 5 steps 1.1: pyridine / 10 °C 1.2: 39 - 55 °C / Large scale reaction 2.1: palladium diacetate; triethylamine; tris-(o-tolyl)phosphine 3.1: [Rh(1,5-COD)(S,S-Et-FerroTANE)]BF4; hydrogen / ethyl acetate / 16 h / 60 °C / 3750.38 Torr 4.1: cobalt(II) chloride; sodium hydroxide / 35 °C / pH 8 - 10 / aq. phosphate buffer 5.1: hydrogenchloride; acylase I from porcine kidney / 72 h / 35 °C / pH 8 / Enzymatic reaction View Scheme |
3,5-dimethyl-4-iodophenol acetate
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: palladium diacetate; triethylamine; tris-(o-tolyl)phosphine 2.1: [Rh(1,5-COD)(S,S-Et-FerroTANE)]BF4; hydrogen / ethyl acetate / 16 h / 60 °C / 3750.38 Torr 3.1: hydrogenchloride; water / 30 - 90 °C 3.2: 40 - 47 °C / pH 4 View Scheme | |
Multi-step reaction with 4 steps 1: palladium diacetate; triethylamine; tris-(o-tolyl)phosphine 2: [Rh(1,5-COD)(S,S-Et-FerroTANE)]BF4; hydrogen / ethyl acetate / 16 h / 60 °C / 3750.38 Torr 3: cobalt(II) chloride; sodium hydroxide / 35 °C / pH 8 - 10 / aq. phosphate buffer 4: hydrogenchloride; acylase I from porcine kidney / 72 h / 35 °C / pH 8 / Enzymatic reaction View Scheme |
methyl (Z)-2-acetamido-3-(4-acetoxy-2,6-dimethylphenyl)-2-propenoate
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: [Rh(1,5-COD)(S,S-Et-FerroTANE)]BF4; hydrogen / ethyl acetate / 16 h / 60 °C / 3750.38 Torr 2.1: hydrogenchloride; water / 30 - 90 °C 2.2: 40 - 47 °C / pH 4 View Scheme | |
Multi-step reaction with 3 steps 1: [Rh(1,5-COD)(S,S-Et-FerroTANE)]BF4; hydrogen / ethyl acetate / 16 h / 60 °C / 3750.38 Torr 2: cobalt(II) chloride; sodium hydroxide / 35 °C / pH 8 - 10 / aq. phosphate buffer 3: hydrogenchloride; acylase I from porcine kidney / 72 h / 35 °C / pH 8 / Enzymatic reaction View Scheme |
(S)-4-acetoxy-N-acetyl-2,6-dimethylphenylalanine methyl ester
H-Dmt
Conditions | Yield |
---|---|
Stage #1: (S)-4-acetoxy-N-acetyl-2,6-dimethylphenylalanine methyl ester With hydrogenchloride; water at 30 - 90℃; Stage #2: With sodium hydroxide In water at 40 - 47℃; pH=4; | |
Multi-step reaction with 2 steps 1: cobalt(II) chloride; sodium hydroxide / 35 °C / pH 8 - 10 / aq. phosphate buffer 2: hydrogenchloride; acylase I from porcine kidney / 72 h / 35 °C / pH 8 / Enzymatic reaction View Scheme |
3,5-Dimethylphenol
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: hydrogenchloride; potassium iodate; potassium iodide / methanol; water / 0 - 20 °C / Large scale reaction 2.1: pyridine / 10 °C 2.2: 39 - 55 °C / Large scale reaction 3.1: palladium diacetate; triethylamine; tris-(o-tolyl)phosphine 4.1: [Rh(1,5-COD)(S,S-Et-FerroTANE)]BF4; hydrogen / ethyl acetate / 16 h / 60 °C / 3750.38 Torr 5.1: hydrogenchloride; water / 30 - 90 °C 5.2: 40 - 47 °C / pH 4 View Scheme | |
Multi-step reaction with 6 steps 1.1: hydrogenchloride; potassium iodate; potassium iodide / methanol; water / 0 - 20 °C / Large scale reaction 2.1: pyridine / 10 °C 2.2: 39 - 55 °C / Large scale reaction 3.1: palladium diacetate; triethylamine; tris-(o-tolyl)phosphine 4.1: [Rh(1,5-COD)(S,S-Et-FerroTANE)]BF4; hydrogen / ethyl acetate / 16 h / 60 °C / 3750.38 Torr 5.1: cobalt(II) chloride; sodium hydroxide / 35 °C / pH 8 - 10 / aq. phosphate buffer 6.1: hydrogenchloride; acylase I from porcine kidney / 72 h / 35 °C / pH 8 / Enzymatic reaction View Scheme | |
Multi-step reaction with 5 steps 1.1: triethylamine / dichloromethane / 1 h / 20 °C 2.1: zinc(II) chloride; chlorosulfonic acid / 0.5 h / -10 °C 2.2: 2 h / 5 - 10 °C 3.1: N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium / tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere 3.2: 3 h / -78 - 20 °C / Inert atmosphere 4.1: hydrogenchloride / tetrahydrofuran; water / 4 h / 0 °C 5.1: lithium hydroxide / tetrahydrofuran / 1 h / 0 °C View Scheme |
H-Dmt
Conditions | Yield |
---|---|
With piperidine In N,N-dimethyl-formamide at 20℃; for 2.33333h; | 4.3 g |
1-((4-bromo-3,5-dimethylphenoxy)methyl)benzene
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: magnesium / tetrahydrofuran / 6 h / 25 °C / Reflux 1.2: 25 °C 2.1: methanol / 5 h / 25 °C 3.1: sodium periodate / tetrachloromethane; acetonitrile; water / 5 h 4.1: palladium 10% on activated carbon; hydrogen / methanol / 24 h / 2068.65 Torr View Scheme |
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: methanol / 5 h / 25 °C 2: sodium periodate / tetrachloromethane; acetonitrile; water / 5 h 3: palladium 10% on activated carbon; hydrogen / methanol / 24 h / 2068.65 Torr View Scheme |
(S)-O-benzyl-N-(tert-butoxycarbonyl)-2,6-dimethyltyrosine
H-Dmt
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In methanol under 2068.65 Torr; for 24h; |
3,5-Dimethylphenyl ethyl carbonate
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: zinc(II) chloride; chlorosulfonic acid / 0.5 h / -10 °C 1.2: 2 h / 5 - 10 °C 2.1: N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium / tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere 2.2: 3 h / -78 - 20 °C / Inert atmosphere 3.1: hydrogenchloride / tetrahydrofuran; water / 4 h / 0 °C 4.1: lithium hydroxide / tetrahydrofuran / 1 h / 0 °C View Scheme |
O-ethoxycarbonyl-3,5-dimethyl-4-chloromethylphenol
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium / tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere 1.2: 3 h / -78 - 20 °C / Inert atmosphere 2.1: hydrogenchloride / tetrahydrofuran; water / 4 h / 0 °C 3.1: lithium hydroxide / tetrahydrofuran / 1 h / 0 °C View Scheme |
benzyl chloroformate
H-Dmt
2,6-dimethyl-N-<(phenylmethoxy)carbonyl>-L-tyrosine
Conditions | Yield |
---|---|
With sodium hydroxide for 16h; | 70% |
Stage #1: H-Dmt With sodium hydrogencarbonate In 1,4-dioxane; water for 0.166667h; Stage #2: benzyl chloroformate In 1,4-dioxane; water at 20℃; for 2h; | 6 g |
Conditions | Yield |
---|---|
With 4-methyl-morpholine In tetrahydrofuran at -23℃; for 0.75h; |
Conditions | Yield |
---|---|
With sodium hydroxide In tert-butyl alcohol at 0 - 20℃; for 27h; | |
With triethylamine | |
Stage #1: di-tert-butyl dicarbonate; H-Dmt With water; sodium hydroxide at 20℃; for 72h; pH=8 - 10; Stage #2: With hydrogenchloride In water; ethyl acetate for 0.166667h; pH=4; | 689 g |
methanol
H-Dmt
(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionic acid methyl ester
Conditions | Yield |
---|---|
With thionyl chloride In methanol |
(2S,3S)-β-methylcyclohexylalanine
N-tert-butoxycarbonyl-L-phenylalanine
L-Tic-OH
H-Dmt
Conditions | Yield |
---|---|
Multistep reaction; |
(2S,3S)-β-methylcyclohexylalanine
N-tert-butoxycarbonyl-L-phenylalanine
L-Tic-OH
H-Dmt
Conditions | Yield |
---|---|
Multistep reaction; |
Conditions | Yield |
---|---|
Multistep reaction; |
Conditions | Yield |
---|---|
Multistep reaction; |
Conditions | Yield |
---|---|
Multistep reaction; |
Conditions | Yield |
---|---|
Multistep reaction; |
(2R,3R)-β-methylcyclohexylalanine
N-tert-butoxycarbonyl-L-phenylalanine
L-Tic-OH
H-Dmt
Conditions | Yield |
---|---|
Multistep reaction; |
(2R,3R)-β-methylcyclohexylalanine
N-tert-butoxycarbonyl-L-phenylalanine
L-Tic-OH
H-Dmt
Conditions | Yield |
---|---|
Multistep reaction; |
methanol
H-Dmt
Conditions | Yield |
---|---|
Stage #1: H-Dmt With thionyl chloride Stage #2: methanol Further stages.; |
H-Dmt
H-Dmt-NH2
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: SOCl2 / methanol 2: Et3N 3: NH3 / methanol 4: HCl / dioxane View Scheme |
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N 2: HCl / dioxane View Scheme |
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N 2: HCl / dioxane View Scheme |
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: SOCl2 / methanol 2: Et3N 3: NH3 / methanol 4: HCl / dioxane 5: NaBH3CN / dioxane View Scheme |
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N 2: NH2OH 3: HCl / dioxane View Scheme |
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N 2: HCl / dioxane View Scheme |
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N 2: HCl / dioxane View Scheme |
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N 2: HCl / dioxane View Scheme |
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N 2: HCl / dioxane View Scheme |
H-Dmt
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N 2: PyBOP; N,N-diisopropylethylamine 3: HCl / dioxane View Scheme |
The CAS register number of 2,6-Dimethyl-L-tyrosine is 123715-02-6. It also can be called as L-Tyrosine,2,6-dimethyl- and the IUPAC name about this chemical is (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid. The molecular formula about this chemical is C11H15NO3 and the molecular weight is 209.24. It belongs to the following product categories, such as Pharmacetical; Benzene series; API intermediates; Non-natural amino acids and so on.
Physical properties about 2,6-Dimethyl-L-tyrosine are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): -1.2; (3)ACD/LogD (pH 7.4): -1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 57.02 cm3; (14)Molar Volume: 168.4 cm3; (15)Polarizability: 22.6x10-24cm3; (16)Surface Tension: 56.7 dyne/cm; (17)Enthalpy of Vaporization: 70.16 kJ/mol; (18)Boiling Point: 412.8 °C at 760 mmHg; (19)Vapour Pressure: 1.49E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc1c(cc(O)cc1C)C
(2)InChI: InChI=1/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
(3)InChIKey: LSNDLIKCFHLFKO-JTQLQIEIBF
(4)Std. InChI: InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
(5)Std. InChIKey: LSNDLIKCFHLFKO-JTQLQIEISA-N
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