tert-Butyl 4-Hydroxybutanoate - CAS 59854-12-5
Catalog: |
BB030531 |
Product Name: |
tert-Butyl 4-Hydroxybutanoate |
CAS: |
59854-12-5 |
Synonyms: |
4-hydroxybutanoic acid tert-butyl ester; tert-butyl 4-hydroxybutanoate |
IUPAC Name: | tert-butyl 4-hydroxybutanoate |
Description: | tert-Butyl 4-Hydroxybutanoate (CAS# 59854-12-5) is used as a reagent in the synthesis of theranostic vitamin-linker-taxoid conjugates. tert-Butyl 4-Hydroxybutanoate is also used as a reagent in the synthesis of teroxazoles as α-helix mimetics. |
Molecular Weight: | 160.21 |
Molecular Formula: | C8H16O3 |
Canonical SMILES: | CC(C)(C)OC(=O)CCCO |
InChI: | InChI=1S/C8H16O3/c1-8(2,3)11-7(10)5-4-6-9/h9H,4-6H2,1-3H3 |
InChI Key: | RXGFTUPFXKYRMW-UHFFFAOYSA-N |
Boiling Point: | 228.9 ℃ at 760 mmHg |
Density: | 0.976 g/mL at 20℃ |
LogP: | 1.10060 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021195295-A1 | Bifunctional molecules and methods of using thereof | 20200324 |
WO-2021018857-A1 | 3,6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their uses as pro-apoptotic agents | 20190729 |
WO-2020247973-A1 | Methods and compositions for treating cancer with cancer-targeted adjuvants | 20190603 |
WO-2020168011-A1 | Compounds, compositions and methods | 20190213 |
CN-113518618-A | Compounds, compositions and methods | 20190213 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.109944368 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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