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Name |
1(4H)-Pyridinepropanoicacid, a-amino-3-hydroxy-4-oxo-, (aS)- |
EINECS | 207-905-1 |
CAS No. | 500-44-7 | Density | 1.544 g/cm3 |
PSA | 105.55000 | LogP | -0.33390 |
Solubility | N/A | Melting Point |
224-228 °C |
Formula | C8H10N2O4 | Boiling Point | 428.6 °C at 760 mmHg |
Molecular Weight | 198.178 | Flash Point | 213 °C |
Transport Information | N/A | Appearance | light tan to pink crystalline powder |
Safety | 22-36 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
1(4H)-Pyridinepropanoicacid, a-amino-3-hydroxy-4-oxo-, (S)-;Mimosine (6CI);L-Mimosine;Leucaenine;Leucaenol;Leucenine;Leucenol;Mimosin;NSC 69188;3-(3-hydroxy-4-oxopyridin-1(4H)-yl)alanine;2-Amino-3-(3-hydroxy-4-oxo-1(4H)-pyridinyl)propanoic acid; |
Article Data | 3 |
Conditions | Yield |
---|---|
With gallium(III) nitrate; pyridoxal 5'-phosphate In water at 62 - 65℃; for 0.5h; pH=4.5; | 2% |
cysteine synthases from Pisum sativum |
Conditions | Yield |
---|---|
With acetate buffer; metal ions; pyridoxal 5'-phosphate |
Conditions | Yield |
---|---|
With acetate buffer; metal ions; pyridoxal 5'-phosphate |
N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide
L-mimosine
Fmoc-mimosine
Conditions | Yield |
---|---|
Stage #1: N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide; L-mimosine With sodium carbonate In 1,4-dioxane; water at 20℃; for 6h; Stage #2: With sodium carbonate In 1,4-dioxane; water at 20℃; for 6h; | 80% |
With sodium carbonate In 1,4-dioxane; water at 20℃; | 7.108 g |
With sodium carbonate In 1,4-dioxane; water at 20 - 26℃; for 27h; | |
With sodium carbonate In 1,4-dioxane; water at 25℃; | 7.108 g |
With sodium carbonate In 1,4-dioxane; water at 20 - 26℃; for 27h; |
Conditions | Yield |
---|---|
With sodium hydroxide |
L-mimosine
(S)-2,3-diaminopropionic acid
Conditions | Yield |
---|---|
With bromine In water |
N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide
L-mimosine
A
Fmoc-mimosine
B
C38H30N2O8
Conditions | Yield |
---|---|
With sodium carbonate In 1,4-dioxane; water at 20℃; for 6h; |
tert-butyldimethylsilyl chloride
L-mimosine
Conditions | Yield |
---|---|
With 1H-imidazole In dichloromethane; N,N-dimethyl-formamide at 45℃; |
Conditions | Yield |
---|---|
With sodium alkyl carbonate In water; acetonitrile for 0.5h; |
Conditions | Yield |
---|---|
With 1,1'-carbonyldiimidazole In tetrahydrofuran |
The 1(4H)-Pyridinepropanoicacid, a-amino-3-hydroxy-4-oxo-, (aS)-, with the CAS registry number 500-44-7 and EINECS registry number 207-905-1, has the systematic name of 3-(3-hydroxy-4-oxopyridin-1(4H)-yl)alanine. It is a kind of light tan to pink crystalline powder, and belongs to the product category of Alkaloids. And the molecular formula of the chemical is C8H10N2O4.
The characteristics of 1(4H)-Pyridinepropanoicacid, a-amino-3-hydroxy-4-oxo-, (aS)- are as followings: (1)ACD/LogP: -1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.57; (4)ACD/LogD (pH 7.4): -3.71; (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: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 46.56 cm3; (15)Molar Volume: 128.3 cm3; (16)Polarizability: 18.46×10-24cm3; (17)Surface Tension: 85.8 dyne/cm; (18)Density: 1.544 g/cm3; (19)Flash Point: 213 °C; (20)Enthalpy of Vaporization: 78.95 kJ/mol; (21)Boiling Point: 428.6 °C at 760 mmHg; (22)Vapour Pressure: 3.84E-09 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust, and wear suitable protective clothing.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(N)CN/1/C=C\C(=O)C(\O)=C\1
(2)InChI: InChI=1/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)
(3)InChIKey: WZNJWVWKTVETCG-UHFFFAOYAK