1-Boc-pyrrolidine-2-boronic Acid - CAS 149682-75-7
Catalog: |
BB010437 |
Product Name: |
1-Boc-pyrrolidine-2-boronic Acid |
CAS: |
149682-75-7 |
Synonyms: |
[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinyl]boronic acid; [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boronic acid |
IUPAC Name: | [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boronic acid |
Description: | A boc-protected cyclic amine used in the preparation of heterocyclic boronic acid compounds. |
Molecular Weight: | 215.05 |
Molecular Formula: | C9H18NO4B |
Canonical SMILES: | B(C1CCCN1C(=O)OC(C)(C)C)(O)O |
InChI: | InChI=1S/C9H18BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h7,13-14H,4-6H2,1-3H3 |
InChI Key: | UIIUYLRUCQCTST-UHFFFAOYSA-N |
Boiling Point: | 349.2 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD02183523 |
LogP: | 0.75570 |
Publication Number | Title | Priority Date |
CN-110452258-B | Preparation method of dipeptide valine boron proline salt | 20190903 |
WO-2021043187-A1 | Method for preparing boron salt of dipeptide of valine-proline | 20190903 |
CN-111377917-A | Heterocyclic compound, intermediate, preparation method and application thereof | 20181229 |
WO-2020135771-A1 | Heterocyclic compound intermediate, preparation method therefor and application thereof | 20181229 |
CN-113272301-A | Heterocyclic compound, intermediate, preparation method and application thereof | 20181229 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.1328882 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.1328882 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 70 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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