![2-[(2E)-3-Chloro-2-propen-1-yl]-2-(1-methylethyl)propanedioic acid 1,3-dimethyl ester structure, CAS 705259-97-8](/structures/60000/57961_1_705259_97_8.png)
CAS Number705259-97-8
Synonyms(E)-dimethyl 2-(3-chloroallyl)-2-isopropylmalonate; dimethyl 2-[(2E)-3-chloro-2-propenyl]-2-isopropylmalonate; 2-[(2E)-3-Chloro-2-propen-1-yl]-2-(1-methylethyl)propanedioic acid 1,3-dimethyl ester
Molecular FormulaC11H17ClO4
Molecular Weight654.81
Purity98.00%
Melting Point144-148 °C (lit.)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 705259-97-8 |
| Catalog No. | 2A-9057961 |
| Chinese Name | 2-[(2E)-3-氯-2-丙烯-1-基]-2-(1-甲基乙基)丙二酸 1,3-二甲酯 |
| Synonyms | (E)-dimethyl 2-(3-chloroallyl)-2-isopropylmalonate; dimethyl 2-[(2E)-3-chloro-2-propenyl]-2-isopropylmalonate; 2-[(2E)-3-Chloro-2-propen-1-yl]-2-(1-methylethyl)propanedioic acid 1,3-dimethyl ester |
| Molecular Formula | C11H17ClO4 |
| Molecular Weight | 654.81 |
| Purity | 98.00 |
| Melting Point | 144-148 °C (lit.) |
| MDL Number | MFCD04039904 |
| SMILES | CC(C)c1c(C(=O)Nc2ccccc2)c(-c3ccccc3)c(-c4ccc(F)cc4)n1CC[C@@H]5C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O5 |
| InChI | 1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1 |
| InChI Key | NPPZOMYSGNZDKY-ROJLCIKYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 12352005 |
| MSDS | msds/57961_1_705259_97_8.pdf |
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