Methyl 3-(trimethylsilyl)-4-pentenoate - CAS 185411-12-5
Catalog: |
BB014224 |
Product Name: |
Methyl 3-(trimethylsilyl)-4-pentenoate |
CAS: |
185411-12-5 |
Synonyms: |
methyl 3-trimethylsilylpent-4-enoate |
Application: |
Methyl 3-(trimethylsilyl)-4-pentenoate, can be used in the synthesis of Eribulin (E615203), a synthetic analog of the marine natural product halichondrin B. |
IUPAC Name: | methyl 3-trimethylsilylpent-4-enoate |
Description: | An impurity of Eribulin. |
Molecular Weight: | 186.32 |
Molecular Formula: | C9H18O2Si |
Canonical SMILES: | COC(=O)CC(C=C)[Si](C)(C)C |
InChI: | InChI=1S/C9H18O2Si/c1-6-8(12(3,4)5)7-9(10)11-2/h6,8H,1,7H2,2-5H3 |
InChI Key: | DJXDHDYQDMVTPZ-UHFFFAOYSA-N |
Boiling Point: | 54 ℃ / 5.5 mmHg (lit.) |
Purity: | > 95 % |
Density: | 0.899 g/mL at 25℃(lit.) |
Appearance: | Liquid |
MDL: | MFCD01863734 |
LogP: | 2.44390 |
Publication Number | Title | Priority Date |
CN-112980496-A | Delayed coking high-temperature-resistant defoaming agent and preparation method thereof | 20210225 |
CN-113024576-A | Preparation method of eribulin and intermediate thereof | 20191209 |
CN-113024589-A | Preparation method of eribulin and intermediate thereof | 20191209 |
CN-111689982-A | Eribulin intermediate and preparation method thereof | 20190315 |
AU-2005250487-B2 | Intermediates for the preparation of analogs of halichondrin B | 20040603 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.107606347 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.107606347 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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