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| CAS No.: | 7451-74-3 |
|---|---|
| Name: | AC-DL-MET-OME |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H15NO3S |
| Molecular Weight: | 205.278 |
| Synonyms: | 2-Acetylamino-4-(methylthio)butyric acid, methyl ester;N-Acetylmethionine methyl ester;AC-DL-MET-OME; |
| Density: | 1.113 g/cm3 |
| Boiling Point: | 372.3 °C at 760 mmHg |
| Flash Point: | 179 °C |
| PSA: | 80.70000 |
| LogP: | 0.80810 |
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- Total:6 Page 1 of 1 1
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Specification
The Methyl N-acetylmethioninate with CAS registry number of 7451-74-3 is also known as 2-Acetylamino-4-(methylthio)butyric acid, methyl ester. The systematic name and product name are the same. In addition, the formula is C8H15NO3S and the molecular weight is 205.27.
Physical properties about Methyl N-acetylmethioninate are: (1)ACD/LogP: 0.15; (2)ACD/LogD (pH 5.5): 0.15; (3)ACD/LogD (pH 7.4): 0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 28.71; (7)ACD/KOC (pH 7.4): 28.71; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.481; (12)Molar Refractivity: 52.46 cm3; (13)Molar Volume: 184.3 cm3; (14)Surface Tension: 37.5 dyne/cm; (15)Density: 1.113 g/cm3; (16)Flash Point: 179 °C; (17)Enthalpy of Vaporization: 61.94 kJ/mol; (18)Boiling Point: 372.3 °C at 760 mmHg; (19)Vapour Pressure: 9.71E-06 mmHg at 25 °C.
Preparation of Methyl N-acetylmethioninate: it is prepared by reaction of 2,2-dimethoxy-propane with N-acetyl-methionine. The reaction needs reagent p-toluenesulfonic acid and solvent methanol at ambient temperature for 48 hours. The yield is about 84%.
Uses of Methyl N-acetylmethioninate: it is used to produce N-Acetyl-D,L-methionine sulfoxide methyl ester. The reaction occurs with reagent perfluoro-cis-2,3-dialkyloxaziridine and various solvents at -40 °C for 30 minutes. The yield is about 88%.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(NC(C(=O)OC)CCSC)C
2. InChI: InChI=1/C8H15NO3S/c1-6(10)9-7(4-5-13-3)8(11)12-2/h7H,4-5H2,1-3H3,(H,9,10)
3. InChIKey: YVMKSJIMTATAAS-UHFFFAOYAF
4. Std. InChI: InChI=1S/C8H15NO3S/c1-6(10)9-7(4-5-13-3)8(11)12-2/h7H,4-5H2,1-3H3,(H,9,10)
5. Std. InChIKey: YVMKSJIMTATAAS-UHFFFAOYSA-N