| Identification | More | [Name]
D-ASPARTIC ACID DIMETHYL ESTER HYDROCHLORIDE | [CAS]
69630-50-8 | [Synonyms]
D-ASPARTIC ACID-1,4-DIMETHYL ESTER HYDROCHLORIDE
D-ASPARTIC ACID ALPHA,BETA-DIMETHYL ESTER HYDROCHLORIDE
D-ASPARTIC ACID DIMETHYL ESTER HCL
D-ASPARTIC ACID DIMETHYL ESTER HYDROCHLORIDE
D-ASPARTIC ACID(OME)-OME HCL
DIMETHYL D-ASPARTATE HYDROCHLORIDE
H-D-ASP(ME)-OME HCL
H-D-ASP(OME)-OME HCL
H-D-Asp(OMe)-OH | [EINECS(EC#)]
1533716-785-6 | [Molecular Formula]
C6H12ClNO4 | [MDL Number]
MFCD00070384 | [Molecular Weight]
197.62 | [MOL File]
69630-50-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
114-119℃ | [storage temp. ]
−20°C
| [solubility ]
Methanol (Slightly), Water (Slightly) | [form ]
Solid | [color ]
Off-White | [Optical Rotation]
Consistent with structure | [InChI]
InChI=1/C6H11NO4.ClH/c1-10-5(8)3-4(7)6(9)11-2;/h4H,3,7H2,1-2H3;1H/t4-;/s3 | [InChIKey]
PNLXWGDXZOYUKB-NDILARRWNA-N | [SMILES]
[C@H](N)(C(=O)OC)CC(=O)OC.Cl |&1:0,r| | [CAS DataBase Reference]
69630-50-8(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
White to off-white powder | [Uses]
D-Aspartic Acid Dimethyl Ester Hydrochloride is a useful synthetic intermediate in the synthesis of MK-7246 (M425045); a potent and selective CRTH2 antagonist for the treatment of respiratory diseases. | [Synthesis]
106.8 g (0.8 mol) of D-aspartic acid and 700 ml of methanol were added to the reaction vessel and 84.4 ml (1.2 mol) of thionyl chloride was added slowly dropwise under stirring, controlling the reaction temperature to 0°C. After the dropwise addition, the reaction system was warmed up to room temperature (about 29°C) and the reaction was continued with stirring for 30 hours. Upon completion of the reaction, excess methanol and thionyl chloride were removed from the reaction solution by distillation. The remaining oily material was dissolved in 3.5 times the volume of ether for crystallization to obtain white crystals. After filtration, the crystals were washed with ether three times and dried to finally obtain 107.8 g of white solid DL-aspartic acid dimethyl ester hydrochloride. | [References]
[1] Journal of Medicinal Chemistry, 2012, vol. 55, # 23, p. 10460 - 10474
[2] Journal of Organic Chemistry, 2012, vol. 77, # 5, p. 2299 - 2309
[3] Journal of Medicinal Chemistry, 2013, vol. 56, # 7, p. 2936 - 2947
[4] Journal of Medicinal Chemistry, 2006, vol. 49, # 24, p. 7215 - 7226
[5] Patent: WO2010/31184, 2010, A1. Location in patent: Page/Page column 22 |
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Alfa Aesar
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400-6106006 |
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Energy Chemical
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www.energy-chemical.com |
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Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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