ChemicalBook--->CAS DataBase List--->41372-08-1

41372-08-1

41372-08-1 Structure

41372-08-1 Structure
IdentificationMore
[Name]

alpha-Methyldopa sesquihydrate
[CAS]

41372-08-1
[Synonyms]

(-)-3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE SESQUIHYDRATE
3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE SESQUIHYDRATE
3-HYDROXY-ALPHA-METHYL-L-TYROSINE SESQUIHYDRATE
3-hydroxy-b-methyl-l-tyrosine hydrate
ALPHA-METHYL-DOPA SESQUIHYDRATE
(-)-ALPHA-METHYL-L-DOPA SESQUIHYDRATE
ALPHA-METHYL-L-DOPA SESQUIHYDRATE
methyl dopa sesquihydrate
(S)-2-AMINO-3-(3,4-DIHYDROXYPHENYL)-2-METHYLPROPIONIC ACID SESQUIHYDRATE
3-hydroxy-alpha-methyl-l-tyrosinhydrate(2:3)
hyperpax
L-METHYL DOPA USP24
L-Methyldopa sesquihydrate
3-(3,4-DIHYDROXYPHENYL)-2-METHYL-
MethyldopaUsp25
(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alaninesesquihydrate,99%
-METHYL-L-DOPA SESQUIHYDRATE
L-Tyrosine, 3-hydroxy-.alpha.-methyl-, hydrate (2:3)
à-methyl-l-dopa
L-(-)-ALPHA-METHYLDOPA ((-)-3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE SESQUIHYDRATE)
[EINECS(EC#)]

209-089-2
[Molecular Formula]

C10H15NO5
[MDL Number]

MFCD00149280
[Molecular Weight]

229.23
[MOL File]

41372-08-1.mol
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

>300 °C(lit.)
[storage temp. ]

2-8°C
[solubility ]

Slightly soluble in water, very slightly soluble in ethanol (96 per cent). It is freely soluble in dilute mineral acids.
[form ]

neat
[color ]

White to Off-White
[Stability:]

Stable, but may be light sensitive. Very hygroscopic. Undergoes catalytic oxygenation in the presence of magnesium, cupric, cobalt, nickel and ferric ions. Store under a dry atmosphere.
[Optical Rotation]

[α]25/D 13°, c = 1 in H2O
[Water Solubility ]

0.1-1 g/100 mL at 23 ºC
[Sensitive ]

Air & Light Sensitive
[Usage]

Antihypertensive agent
[Merck ]

13,6080
[BRN ]

2417244
[Major Application]

peptide synthesis
[InChI]

InChI=1/C10H13NO4.H2O/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;/h2-4,12-13H,5,11H2,1H3,(H,14,15);1H2/t10-;/s3
[InChIKey]

XDJUBZFLFDODNF-MEQOOBBNNA-N
[SMILES]

[C@@](N)(C)(CC1C=CC(O)=C(O)C=1)C(=O)O.O |&1:0,r|
[CAS DataBase Reference]

41372-08-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Risk Statements ]

R20/21:Harmful by inhalation and in contact with skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
R42/43:May cause sensitization by inhalation and skin contact .
R65:Harmful: May cause lung damage if swallowed.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

YP2860000
[F ]

10-23
[HS Code ]

2922504500
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Antihypertensive agent
[Uses]

Antihypertensive agent.
[Uses]

Potent inhibitor of invertase and glucosidase inhibitor with a different specificity of action to DNJ and castanospermine. Inhibits glucosidase I.?
[reaction suitability]

reaction type: solution phase peptide synthesis
[Biological Activity]

l-(-)-α-methyldopa (hydrate) is an alpha-adrenergic agonist (selective for α2-adrenergic receptors) psychoactive drug used as a sympatholytic or antihypertensive.
[Purification Methods]

Recrystallise methyldopa from H2O. [Reinhold et al. J Org Chem 33 1209 1968.] The L-isomer forms a sesquihydrate from H2O m 302-304o (dec), and the anhydrous crystals are hygroscopic,[] 23D -4.0o (c 1, 0.1N HCl), []546 +154.5o (c 5, CuSO4 solution). It has max at 281nm ( 2780). Its solubility in H2O at 25o is ~10mg/mL and the pH of an aqueous solution is ~5.0. It is insoluble in most organic solvents. [Stein et al. J Am Chem Soc 77 700 1955, Beilstein 4 IV 2505.]
Spectrum DetailBack Directory
[Spectrum Detail]

alpha-Methyldopa sesquihydrate(41372-08-1)1HNMR
alpha-Methyldopa sesquihydrate(41372-08-1)Raman
alpha-Methyldopa sesquihydrate(41372-08-1)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

**DISCONTINUED**; (-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate, 99%(41372-08-1)
[Sigma Aldrich]

41372-08-1(sigmaaldrich)
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