L-HOMOCYSTEINE CAS#: 6027-13-0; ChemWhat Code: 92081
Identification
| Product Name | L-HOMOCYSTEINE |
| IUPAC Name | (2S)-2-amino-4-sulfanylbutanoic acid |
| Molecular Structure |  |
| CAS Registry Number | 6027-13-0 |
| EINECS Number | 227-891-0 |
| MDL Number | MFCD00151320 |
| Beilstein Registry Number | No data available |
| Synonyms | L-Homocysteine [ACD/Index Name];(2S)-2-amino-4-sulfanylbutanoic acid;(S)-2-amino-4-mercapto-Butanoic acid;(S)-2-Amino-4-mercaptobutanoic acid;(S)-2-Amino-4-mercaptobutyric acid;(S)-Homocysteine;Homocysteine, L-;L-Homocystein;(2S)-2-amino-4-mercaptobutanoic acid;(2S)-2-amino-4-mercapto-butyric acid; (2S)-2-amino-4-sulfanyl-butanoic acid;(2S)-2-ammonio-4-mercaptobutanoate;(2S)-2-azaniumyl-4-sulfanylbutanoate; CAS#: 6027-13-0 CAS Number: 6027-13-0 |
| Molecular Formula | C4H9NO2S |
| Molecular Weight | 135.185 |
| InChI | InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1 |
| InChI Key | FFFHZYDWPBMWHY-VKHMYHEASA-N |
| Canonical SMILES | C(CS)C(C(=O)O)N |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2012/148633 | BINARY AND TERTIARY GALVANIC PARTICULATES AND METHODS OF MANUFACTURING AND USE THEREOF | 2012 |
Physical Data
| Appearance | Solid |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | 1.5480 (estimate) |
| Sensitivity | No data available |
| Melting Point, °C | Comment (Melting Point) |
| 247 – 249 | Decomposition |
| 245 – 247 | Decomposition |
| Description (Association (MCS)) | Solvent (Association (MCS)) | Comment (Association (MCS)) | Partner (Association (MCS)) |
| Association with compound | aq. phosphate buffer | C38H32N2O2S*Cu(2+) | |
| Association with compound | aq. phosphate buffer | C38H32N2O2S*Cu(2+) | |
| Association with compound | C26H18N4O7S | ||
| Association with compound | aq. buffer | Hg+2 complex of supramolecular polymer with N,N’-di-(phenyl-3,5-dicarboxylic acid)-perylene-3,4:9,10-tetracarboxylic diimide and melamine | |
| Association with compound | water, acetonitrile | copper(II) ion | |
| NMR spectrum of the complex | 3-(4-dimethylamino-phenyl)-propenal | ||
| UV/VIS spectrum of the complex | in the presence of inorganic compounds | fluorone black |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | water-d2 | 400 |
| Chemical shifts | 13C | water-d2 | 101 |
| Chemical shifts | 1H | 300.1 | |
| Chemical shifts | 13C | 75.5 | |
| Spectrum | tetradeuteriomethanol, D2O | ||
| D2O | 270 | ||
| Chemical shifts | 13C | D2O, NaOH | |
| Spin-lattice relaxation time (T1) |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Intensity of IR bands, Bands | potassium bromide |
| Bands | KBr |
| IR |
| Description (Mass Spectrometry) |
| liquid chromatography mass spectrometry (LCMS), time-of-flight mass spectra (TOFMS), spectrum |
| liquid chromatography mass spectrometry (LCMS), electrospray ionisation (ESI), time-of-flight mass spectra (TOFMS), spectrum |
| liquid chromatography mass spectrometry (LCMS), time-of-flight mass spectra (TOFMS), electrospray ionisation (ESI), high resolution mass spectrometry (HRMS), spectrum |
| electrospray ionisation (ESI), spectrum |
| liquid chromatography mass spectrometry (LCMS), tandem mass spectrometry, electrospray ionisation (ESI), spectrum |
| spectrum, tandem mass spectrometry, fragmentation pattern |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) |
| Spectrum | dimethyl sulfoxide, water |
| Emission spectrum, Spectrum | dimethyl sulfoxide, water |
| Spectrum | aq. phosphate buffer |
Route of Synthesis (ROS)
| Conditions | Yield |
| With hydrogen In ethyl acetate at 20℃; under 7600.51 Torr; for 6h; Autoclave; | 99% |
| With 0.2C27H36N2*Pt; hydrogen In tetrahydrofuran at 60℃; under 3000.3 Torr; for 5h; chemoselective reaction; | 99% |
| With hydrogen In ethyl acetate under 760.051 Torr; for 2h; Heating; Flow reactor; Green chemistry; | 99% |
| With hydrogen; triethylamine In ethanol; water at 110℃; under 30003 Torr; for 24h; Autoclave; | 98% |
| With hydrogen In 2-methyltetrahydrofuran; water at 40℃; under 15001.5 Torr; for 24h; chemoselective reaction; | 98% |
| With sodium tetrahydroborate In water at 20℃; for 1.5h; chemoselective reaction; Experimental Procedure General procedure: In a typical experiment, 0.5mmol of nitroarene and 0.002g(2mol%) NiNPs/DNA were added to 2mL water and thenstirred for 2-3min for thoroughly mixing. Subsequently,1mmol of NaBH4was added to the reaction mixture undermagnetic stirring at room temperature. The extent of thereaction was monitored by thin layer chromatography.Reproducibility of the results was checked by repeating theruns at least three times and was found to be within acceptablelimits (± 3%). When the reaction was completed, thereaction mixture was diluted with ethyl acetate and the catalystwas recovered by centrifugation. The combined organicfractions were dried over Na2SO4and evaporated underreduced pressure. The crude product was purified by columnchromatography on silica gel with a mixture of ethyl acetateand n-hexane as the eluent, and the ratio of ethyl acetate andn-hexane was depended on the structure of the products.The structure of isolated products was verified by 1H NMR. | 97% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P264, P270, P301+P312, P330, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | 2930909 |
| Storage | Under the room temperature and away from light |
| Shelf Life | No data available |
| Market Price | USD |
| Use Pattern |
| Cosmetics/dental/toilet |
| Food/food additives |
| L-HOMOCYSTEINE CAS#: 6027-13-0 as Pharmaceuticals |
| agent for inhibiting epidermal hyperplasia caused by exposure to ultraviolet light |
| cosmetics for inhibiting epidermal hyperplasia caused by exposure to ultraviolet light |
| drink for inhibiting epidermal hyperplasia caused by exposure to ultraviolet light |
| medicine for inhibiting epidermal hyperplasia caused by exposure to ultraviolet light |
| quasi-drug for inhibiting epidermal hyperplasia caused by exposure to ultraviolet light |
| combination with boronic acid compound in treating a bacterial infection |
| Component for pharmaceutical compositions for treatment of skin disease |
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Approved Manufacturers | |
| Ulcho Biochemical Ltd | http://www.ulcho.com/ |
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