CAS No.3211-76-5,L-(+)-Selenomethionine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3211-76-5
Name:	L-(+)-Selenomethionine
Article Data:	16

Formula:	C₅H₁₁NO₂Se
Molecular Weight:	196.108
Synonyms:	Butanoic acid,2-amino-4-(methylseleno)-, (S)-;Butyric acid, 2-amino-4-(methylselenyl)-, L-(8CI);L-Selenomethionine;Seleno-L-methionine;Selenomethionine;
EINECS:	608-705-0
Melting Point:	265 °C
Boiling Point:	320.78 °C at 760 mmHg
Flash Point:	147.803 °C
Solubility:	H₂O: 50 mg/mL
Appearance:	white to off-white powder
Hazard Symbols:	T, N
Risk Codes:	23/25-33-50/53
Safety:	20/21-28-45-60-61-28A
Transport Information:	UN 3283 6.1/PG 2
PSA:	63.32000
LogP:	0.65930

Synthetic route

: 45172-44-9
N-Boc-L-selenomethionine

: 3211-76-5
Seleno-L-methionine

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane for 0.5h; Ambient temperature;	96%

: 37773-10-7
sodium methylselenide

: 3493-11-6
(3S)-(3-amino-3-carboxypropyl)dimethylsulfonium iodide

: 3211-76-5
Seleno-L-methionine

Conditions

Conditions	Yield
In methanol; ethanol at 45℃; for 9h; Solvent; Temperature; Inert atmosphere;	82%

: 77-78-1
dimethyl sulfate

: L,L-selenohomocystine

: 3211-76-5
Seleno-L-methionine

Conditions

Conditions	Yield
Stage #1: L,L-selenohomocystine With sodium tetrahydroborate; ethanol at 30 - 45℃; for 5h; Inert atmosphere; Stage #2: dimethyl sulfate at 25 - 30℃; for 3h; Temperature;	81.8%

: 917-54-4
methyllithium

: 15159-66-7
α-amino-γ-bromobutyric acid methyl ester hydrochloride

: 3211-76-5
Seleno-L-methionine

Conditions

Conditions	Yield
Stage #1: methyllithium; α-amino-γ-bromobutyric acid methyl ester hydrochloride With selenium; boric acid tributyl ester In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide at -78 - 20℃; for 0.166667h; Inert atmosphere; Stage #2: With methanol; sodium hydroxide In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide for 0.166667h; Temperature; Reagent/catalyst;	66%

: (S)-2-Benzyloxycarbonylamino-4-methylselanyl-butyric acid; compound with dicyclohexyl-amine

: 3211-76-5
Seleno-L-methionine

Conditions

Conditions	Yield
(i) aq. H2SO4, AcOEt, (ii) HBr, HSCH2CH2OH, AcOH; Multistep reaction;

: 19635-25-7
(2S)-2-amino-4-(benzylselanyl)butanoic acid

: 74-88-4
methyl iodide

: 3211-76-5
Seleno-L-methionine

Conditions

Conditions	Yield
(i) Na, liq. NH3, (ii) /BRN= 969135/, NH4Cl; Multistep reaction;

: Lithium; 2-acetylamino-4-methylselanyl-butyrate

: 3211-76-5
Seleno-L-methionine

Conditions

Conditions	Yield
at 39℃; aminoacylase;

: 174463-50-4
2-Acetylamino-4-methylselanyl-butyric acid

: 3211-76-5
Seleno-L-methionine

Conditions

Conditions	Yield
With acylase from Aspergillus oryzae; water at 20 - 37℃;

: N-Acetylseleno-L-methionine

: 3211-76-5
Seleno-L-methionine

Conditions

Conditions	Yield
With pig kidney acylase I In phosphate buffer at 37℃; for 0.166667h; pH=7.4; Enzyme kinetics; Deacetylation;

: 29475-60-3
L-selenohomocysteine

: N-[4-[[(2-amino-1,4,5,6,7,8,-hexahydro-4-oxo-5-methyl-6-pteridinyl)methyl]amino]benzoyl]-L-glutamate

: 3211-76-5
Seleno-L-methionine

Conditions

Conditions	Yield
With E. coli cobalamin-independent methionine synthase (2-649) Enzyme kinetics; Methylation;

Raw Materials

74-88-4

2578-28-1

45172-44-9

29475-60-3

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Specification

The IUPAC name of L-(+)-Selenomethionine is (2S)-2-amino-4-methylselanylbutanoic acid. With the CAS registry number 3211-76-5, it is also named as Selenomethionine. The product's categories are Amino Acid Derivatives; Methionine [Met, M]; Amino Acids; Antioxidant; Biochemistry; Biological-modified Amino Acids; Classes of Metal Compounds; Se (Selenium) Compounds; Semimetal Compounds. Besides, it is white to off-white powder, which should be stored in closed, cool and dry place at -20 °C. In addition, its molecular formula is C₅H₁₁NO₂Se and molecular weight is 196.11.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5):; (4)ACD/LogD (pH 7.4):; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.32 Å²; (13)Flash Point: 147.803 °C; (14)Melting Point: 265 °C; (15)Solubility: H₂O: 50 mg/mL; (16)alpha: 18 °(c=1, 1N HCl); (17)Enthalpy of Vaporization: 61.843 kJ/mol; (18)Boiling Point: 320.78 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of L-(+)-Selenomethionine: this chemical can be prepared by 2-tert-Butoxycarbonylamino-4-methylselanyl-butyric acid.

This reaction needs trifluoroacetic acid and CH₂Cl₂ at ambient temperature for 30 min. The yield is 96 %.

Uses of L-(+)-Selenomethionine: this chemical can be used to incorporate into proteins in place of methionine aids the structure elucidation of proteins by X-ray crystallography using multi-wavelength anomalous diffraction (MAD). It also can be used as food additive.

When you are using this chemical, please be cautious about it as the following: it is toxic by inhalation and if swallowed. It is also danger of cumulative effects. When using, do not smoke, eat or drink. And after contact with skin, wash immediately with plenty of soap-suds. Moreover, it is very toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. Additionally, please avoid release to the environment. Refer to special instructions / safety data sheets. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: C[Se]CC[C@@H](C(=O)O)N
(2)InChI: InChI=1/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
(3)InChIKey: RJFAYQIBOAGBLC-BYPYZUCNBA