O-[(2S)-3,3-Dimethyl-N-boc-proline Methyl Ester] S-Methyl Xanthate - CAS 1219402-96-6
Catalog: |
BB055842 |
Product Name: |
O-[(2S)-3,3-Dimethyl-N-boc-proline Methyl Ester] S-Methyl Xanthate |
CAS: |
1219402-96-6 |
Synonyms: |
O-[(2S)-3,3-Dimethyl-N-boc-proline Methyl Ester] S-Methyl Xanthate; 1-O-tert-butyl 2-O-methyl 3,3-dimethyl-4-methylsulfanylcarbothioyloxypyrrolidine-1,2-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 2-O-methyl 3,3-dimethyl-4-methylsulfanylcarbothioyloxypyrrolidine-1,2-dicarboxylate |
Description: | O-[(2S)-3,3-Dimethyl-N-boc-proline Methyl Ester] S-Methyl Xanthate (cas# 1219402-96-6) is a compound useful in organic synthesis. |
Molecular Weight: | 363.49 |
Molecular Formula: | C15H25NO5S2 |
Canonical SMILES: | CC1(C(CN(C1C(=O)OC)C(=O)OC(C)(C)C)OC(=S)SC)C |
InChI: | InChI=1S/C15H25NO5S2/c1-14(2,3)21-12(18)16-8-9(20-13(22)23-7)15(4,5)10(16)11(17)19-6/h9-10H,8H2,1-7H3 |
InChI Key: | DFVDFCZNEOFBMP-UHFFFAOYSA-N |
Solubility: | Ether, Ethyl Acetate, Hexane |
Appearance: | Brown Liquid |
Complexity: | 487 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 363.11741525 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 363.11741525 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 123Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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