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1(4H)-Pyridinepropanoicacid, a-amino-3-hydroxy-4-oxo-, (aS)-

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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 Molecular Structure of 500-44-7 (L-MIMOSINE) Hazard Symbols HarmfulXn
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

1(4H)-Pyridinepropanoicacid, a-amino-3-hydroxy-4-oxo-, (aS)- Synthetic route

10182-48-6

3,4-dihydroxypyridine

5147-00-2

O-acetyl-L-serine

500-44-7

L-mimosine

Conditions
ConditionsYield
With gallium(III) nitrate; pyridoxal 5'-phosphate In water at 62 - 65℃; for 0.5h; pH=4.5;2%
cysteine synthases from Pisum sativum
1121-23-9

3-hydroxypyridin-4-one

56-45-1

L-serin

500-44-7

L-mimosine

Conditions
ConditionsYield
With acetate buffer; metal ions; pyridoxal 5'-phosphate
1121-23-9

3-hydroxypyridin-4-one

5147-00-2

O-acetyl-L-serine

500-44-7

L-mimosine

Conditions
ConditionsYield
With acetate buffer; metal ions; pyridoxal 5'-phosphate
82911-69-1

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide

500-44-7

L-mimosine

1271936-31-2

Fmoc-mimosine

Conditions
ConditionsYield
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;
77-78-1

dimethyl sulfate

500-44-7

L-mimosine

50700-62-4

3-methoxy-N-methyl-4-pyridone

Conditions
ConditionsYield
With sodium hydroxide
500-44-7

L-mimosine

515-94-6, 1915-96-4, 4033-39-0, 6018-54-8

(S)-2,3-diaminopropionic acid

Conditions
ConditionsYield
With bromine In water
82911-69-1

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide

500-44-7

L-mimosine

A

1271936-31-2

Fmoc-mimosine

B

1271936-33-4

C38H30N2O8

Conditions
ConditionsYield
With sodium carbonate In 1,4-dioxane; water at 20℃; for 6h;
18162-48-6

tert-butyldimethylsilyl chloride

500-44-7

L-mimosine

N-α-Fmoc-O-tert-butyldimethylsilyl-L-mimosine

Conditions
ConditionsYield
With 1H-imidazole In dichloromethane; N,N-dimethyl-formamide at 45℃;
14152-97-7

2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate

500-44-7

L-mimosine

C23H29N3O13S

Conditions
ConditionsYield
With sodium alkyl carbonate In water; acetonitrile for 0.5h;
88192-19-2

3-azidopropylamine

500-44-7

L-mimosine

C11H16N6O3

Conditions
ConditionsYield
With 1,1'-carbonyldiimidazole In tetrahydrofuran

1(4H)-Pyridinepropanoicacid, a-amino-3-hydroxy-4-oxo-, (aS)- Specification

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

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