L-anserine
Conditions | Yield |
---|---|
With hydrogenchloride In water at 20 - 50℃; for 4h; | 97% |
With hydrogenchloride In water at 40 - 50℃; for 8h; | 5.1 g |
L-anserine
Conditions | Yield |
---|---|
With sodium hydrogencarbonate at 20 - 30℃; for 8h; | 95% |
L-anserine
Conditions | Yield |
---|---|
With ammonium formate In ethanol at 70 - 80℃; for 12h; Solvent; Reagent/catalyst; Temperature; | 95% |
L-anserine
Conditions | Yield |
---|---|
With potassium hydroxide at 20 - 30℃; for 8h; | 93% |
β-alanyl-3-methyl-L-histidine methyl ester
L-anserine
Conditions | Yield |
---|---|
With potassium hydroxide at 20 - 30℃; for 8h; | 92% |
L-anserine
Conditions | Yield |
---|---|
With potassium hydroxide at 20 - 30℃; for 8h; | 91% |
L-anserine
Conditions | Yield |
---|---|
With potassium carbonate at 20 - 30℃; for 8h; | 90.5% |
L-anserine
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen at 20 - 30℃; for 2h; | 90% |
With palladium 10% on activated carbon; hydrogen at 20 - 30℃; for 2h; | 4.9 g |
L-anserine
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen at 20 - 30℃; for 2h; | 90% |
phthalyl-L-anserine methylester
L-anserine
Conditions | Yield |
---|---|
With hydrogenchloride; water; hydrazine for 5h; Heating / reflux; | 73.8% |
N(α)-(3-((tert-butoxycarbonyl)amino)propylcarbonyl)-N(τ)-methyl-L-histidine methyl ester
L-anserine
Conditions | Yield |
---|---|
Stage #1: N(α)-(3-((tert-butoxycarbonyl)amino)propylcarbonyl)-N(τ)-methyl-L-histidine methyl ester With sodium hydroxide In methanol; water at 20℃; for 16h; pH=> 11; Stage #2: With hydrogenchloride In methanol; water for 15h; pH=< 3; | 67% |
With sodium hydroxide at 20℃; | |
Multi-step reaction with 2 steps 1: sodium hydroxide; water / methanol / 6 h / 20 - 30 °C 2: hydrogenchloride / water / 4 h / 20 - 50 °C View Scheme | |
Multi-step reaction with 2 steps 1: hydrogenchloride / methanol; water / 4 h / 20 - 40 °C 2: potassium hydroxide / 8 h / 20 - 30 °C View Scheme |
benzyl N-[2-(hydrazinecarbonyl)ethyl]carbamate
L-anserine
Conditions | Yield |
---|---|
With hydrogenchloride; water; acetic acid; sodium nitrite Umsetzen des erhaltenen Azids mit 3-Methyl-L-histidin-methylester,anschliessendes Behandeln mit wss.NaOH und Hydrieren an Palladium in wss.H2SO4; |
Conditions | Yield |
---|---|
ueber die enzymatische Synthese; |
3-methylhistidine
3-amino propanoic acid
L-anserine
Conditions | Yield |
---|---|
ueber die enzymatische Synthese; |
2-(3-tert-butoxycarbonylaminopropionylamino)-3-(1H-imidazol-4-yl)propionic acid methyl ester
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 98 percent / Et3N / benzene / 1 h / Heating 2: tetrahydrofuran / 1 h / Heating 3: 18.7 g / AgOAc / acetic acid; H2O / 0.08 h 4: aq. NaOH / 20 °C View Scheme |
2-(3-tert-butoxycarbonylaminopropionylamino)-3-(1-trityl-1H-imidazol-4-yl)propionic acid methyl ester
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: tetrahydrofuran / 1 h / Heating 2: 18.7 g / AgOAc / acetic acid; H2O / 0.08 h 3: aq. NaOH / 20 °C View Scheme |
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 18.7 g / AgOAc / acetic acid; H2O / 0.08 h 2: aq. NaOH / 20 °C View Scheme |
l-histidine methyl ester dihydrochloride
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: 99 percent / N'-(3-dimethylaminopropyl)-N-ethylcarbodiimide; Et3N / CH2Cl2 / 24 h / 20 °C 2: 98 percent / Et3N / benzene / 1 h / Heating 3: tetrahydrofuran / 1 h / Heating 4: 18.7 g / AgOAc / acetic acid; H2O / 0.08 h 5: aq. NaOH / 20 °C View Scheme |
(S)-methyl 2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoate
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 25 h / 20 °C / Inert atmosphere 2.1: sodium hydroxide / methanol; water / 16 h / 20 °C / pH > 11 2.2: 15 h / pH < 3 View Scheme | |
Multi-step reaction with 3 steps 1: triethylamine / acetonitrile / 4 h / 20 - 30 °C 2: sodium hydroxide; water / methanol / 6 h / 20 - 30 °C 3: hydrogenchloride / water / 4 h / 20 - 50 °C View Scheme | |
Multi-step reaction with 3 steps 1: triethylamine / acetonitrile / 4 h / 20 - 30 °C 2: hydrogenchloride / methanol; water / 4 h / 20 - 40 °C 3: potassium hydroxide / 8 h / 20 - 30 °C View Scheme |
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: N,N,N',N'-tetramethylguanidine / tetrahydrofuran / 25 h / 0 - 20 °C 2.1: (-)-1,2-bis-((2R,5R)-2,5-diethylphospholano)benzene(cyclooctadiene) rhodium(I) trifluoromethanesulfonate; hydrogen / 2,2,2-trifluoroethanol / 10 h / 50 °C / 15514.9 Torr 3.1: hydrogen; palladium(II) hydroxide / methanol / 3 h / 20 °C 4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 25 h / 20 °C / Inert atmosphere 5.1: sodium hydroxide / methanol; water / 16 h / 20 °C / pH > 11 5.2: 15 h / pH < 3 View Scheme | |
Multi-step reaction with 5 steps 1.1: N,N,N',N'-tetramethylguanidine / tetrahydrofuran / 25 h / 0 - 20 °C 2.1: (-)-1,2-bis-((2R,5R)-2,5-diethylphospholano)benzene(cyclooctadiene) rhodium(I) trifluoromethanesulfonate; hydrogen / methanol / 120 °C / 80160.1 Torr 3.1: hydrogen; palladium(II) hydroxide / methanol / 3 h / 20 °C 4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 25 h / 20 °C / Inert atmosphere 5.1: sodium hydroxide / methanol; water / 16 h / 20 °C / pH > 11 5.2: 15 h / pH < 3 View Scheme |
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: (-)-1,2-bis-((2R,5R)-2,5-diethylphospholano)benzene(cyclooctadiene) rhodium(I) trifluoromethanesulfonate; hydrogen / methanol / 120 °C / 80160.1 Torr 2.1: hydrogen; palladium(II) hydroxide / methanol / 3 h / 20 °C 3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 25 h / 20 °C / Inert atmosphere 4.1: sodium hydroxide / methanol; water / 16 h / 20 °C / pH > 11 4.2: 15 h / pH < 3 View Scheme | |
Multi-step reaction with 4 steps 1.1: (-)-1,2-bis-((2R,5R)-2,5-diethylphospholano)benzene(cyclooctadiene) rhodium(I) trifluoromethanesulfonate; hydrogen / 2,2,2-trifluoroethanol / 10 h / 50 °C / 15514.9 Torr 2.1: hydrogen; palladium(II) hydroxide / methanol / 3 h / 20 °C 3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 25 h / 20 °C / Inert atmosphere 4.1: sodium hydroxide / methanol; water / 16 h / 20 °C / pH > 11 4.2: 15 h / pH < 3 View Scheme |
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: hydrogen; palladium(II) hydroxide / methanol / 3 h / 20 °C 2.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 25 h / 20 °C / Inert atmosphere 3.1: sodium hydroxide / methanol; water / 16 h / 20 °C / pH > 11 3.2: 15 h / pH < 3 View Scheme |
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: sodium carbonate / tetrahydrofuran / 6 h / 20 - 30 °C 2: hydrogenchloride / methanol; water / 8 h / 20 - 50 °C 3: palladium 10% on activated carbon; hydrogen / 2 h / 20 - 30 °C View Scheme | |
Multi-step reaction with 3 steps 1: sodium carbonate / tetrahydrofuran / 6 h / 20 - 30 °C 2: palladium 10% on activated carbon; hydrogen / methanol; water / 6 h / 20 - 30 °C 3: hydrogenchloride / water / 4 h / 20 - 50 °C View Scheme | |
Multi-step reaction with 3 steps 1: sodium carbonate / tetrahydrofuran / 6 h / 20 - 30 °C 2: hydrogenchloride / methanol; water / 8 h / 40 - 50 °C 3: palladium 10% on activated carbon; hydrogen / 2 h / 20 - 30 °C View Scheme | |
Multi-step reaction with 3 steps 1: sodium carbonate / tetrahydrofuran / 6 h / 20 - 30 °C 2: palladium 10% on activated carbon; hydrogen / methanol; water / 12 h / 20 - 30 °C 3: hydrogenchloride / water / 8 h / 40 - 50 °C View Scheme |
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogenchloride / methanol; water / 8 h / 20 - 50 °C 2: palladium 10% on activated carbon; hydrogen / 2 h / 20 - 30 °C View Scheme | |
Multi-step reaction with 2 steps 1: hydrogenchloride / methanol; water / 8 h / 40 - 50 °C 2: palladium 10% on activated carbon; hydrogen / 2 h / 20 - 30 °C View Scheme |
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: potassium hydrogencarbonate / toluene / 8 h / 20 - 30 °C 2: hydrogenchloride / water; toluene / 4 h / 30 - 50 °C 3: potassium carbonate / 8 h / 20 - 30 °C View Scheme | |
Multi-step reaction with 3 steps 1: potassium hydrogencarbonate / toluene / 8 h / 20 - 30 °C 2: formic acid / methanol; water / 6 h / 30 °C 3: hydrogenchloride / water / 4 h / 20 - 50 °C View Scheme |
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogenchloride / water; toluene / 4 h / 30 - 50 °C 2: potassium carbonate / 8 h / 20 - 30 °C View Scheme | |
Multi-step reaction with 2 steps 1: formic acid / methanol; water / 6 h / 30 °C 2: hydrogenchloride / water / 4 h / 20 - 50 °C View Scheme |
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: potassium hydrogencarbonate / toluene / 4 h / 20 - 30 °C 2: potassium hydrogencarbonate / tetrahydrofuran / 8 h / 20 - 30 °C 3: hydrogenchloride / water / 4 h / 20 - 50 °C View Scheme | |
Multi-step reaction with 3 steps 1: potassium hydrogencarbonate / toluene / 4 h / 20 - 30 °C 2: hydrogenchloride / water; tetrahydrofuran / 4 h / 20 - 50 °C 3: sodium hydrogencarbonate / 8 h / 20 - 30 °C View Scheme |
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogenchloride / water; tetrahydrofuran / 4 h / 20 - 50 °C 2: sodium hydrogencarbonate / 8 h / 20 - 30 °C View Scheme | |
Multi-step reaction with 2 steps 1: potassium hydrogencarbonate / tetrahydrofuran / 8 h / 20 - 30 °C 2: hydrogenchloride / water / 4 h / 20 - 50 °C View Scheme |
L-anserine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: sodium hydrogencarbonate / N,N-dimethyl-formamide / 4 h / 20 - 30 °C 2: hydrogenchloride / water; ethanol / 4 h / 20 - 50 °C 3: potassium hydroxide / 8 h / 20 - 30 °C View Scheme | |
Multi-step reaction with 3 steps 1: sodium hydrogencarbonate / N,N-dimethyl-formamide / 4 h / 20 - 30 °C 2: sodium carbonate / 8 h / 20 - 30 °C 3: hydrogenchloride / water / 4 h / 20 - 50 °C View Scheme |
2I-O-(p-toluenesulfonyl)-β-cyclodextrin
L-anserine
Conditions | Yield |
---|---|
Stage #1: 2I-O-(p-toluenesulfonyl)-β-cyclodextrin With sodium hydrogencarbonate In water Stage #2: L-anserine In water at 60℃; for 40h; Further stages.; | 37% |
L-anserine
A
3-methylhistidine
B
3-amino propanoic acid
Conditions | Yield |
---|---|
at 140℃; |
Conditions | Yield |
---|---|
ueber die Phosphorylierung; |
Conditions | Yield |
---|---|
With hydrogenchloride at 0℃; |
L-anserine
Conditions | Yield |
---|---|
With oxygen; copper(II) sulfate; ascorbic acid In aq. phosphate buffer at 20℃; for 0.5h; pH=7.2; |
The L-Histidine, β-alanyl-3-methyl-, with the CAS registry number 584-85-0, is also known as L-Anserine. It belongs to the product categoy of Chiral heterocyclic compounds. Its EINECS number is 209-545-0. This chemical's molecular formula is C10H16N4O3 and molecular weight is 240.26. What's more, its systematic name is β-alanyl-3-methyl-L-histidine.
Physical properties of L-Histidine, β-alanyl-3-methyl- are: (1)ACD/LogP: -2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.63; (4)ACD/LogD (pH 7.4): -4.88; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 67.67 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 60.43 cm3; (15)Molar Volume: 173.1 cm3; (16)Polarizability: 23.95×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 323.5 °C; (20)Enthalpy of Vaporization: 95.43 kJ/mol; (21)Boiling Point: 611.3 °C at 760 mmHg; (22)Vapour Pressure: 8.52E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)CCN)Cc1cncn1C
(2)InChI: InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
(3)InChIKey: MYYIAHXIVFADCU-QMMMGPOBSA-N
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