D-Valinol - CAS 4276-09-9
Catalog: |
BB025218 |
Product Name: |
D-Valinol |
CAS: |
4276-09-9 |
Synonyms: |
H-D-Val-ol; (R)-(-)-2-Amino-3-methyl-1-butanol |
IUPAC Name: | (R)-2-amino-3-methylbutan-1-ol |
Description: | D-Valinol (CAS# 4276-09-9) is used as a reagent in the synthesis of the HIV type 1 integrase inhibitor Elvitegravir (E509000). D-Valinol is also used in the preparation of novel 2-(alkylmorpholin-4-yl)-6-(3-fluoropyridin-4-yl)-pyrimidin-4(3H)-ones as orally active GSK-3β inhibitors for Alzheimer's disease. |
Molecular Weight: | 103.2 |
Molecular Formula: | C5H13NO |
Canonical SMILES: | CC(C)C(CO)N |
InChI: | InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m0/s1 |
InChI Key: | NWYYWIJOWOLJNR-YFKPBYRVSA-N |
Boiling Point: | 189-190 °C (lit.) |
Melting Point: | 35-36 °C (lit.) |
Purity: | ≥ 99 % (GC) |
Density: | 0.931 g/mL at 20 °C (lit.) |
Appearance: | White crystals or colorless to pale yellow transparent liquid |
Storage: | Store at 2-8 °C |
MDL: | MFCD00064297 |
LogP: | 0.66230 |
GHS Hazard Statement: | H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113461727-A | Synthetic method and application of hexaphenyl trisiloxy cyclic ether | 20210707 |
CN-113214096-A | Preparation and application of chiral quaternary ammonium salt | 20210513 |
CN-112898585-A | Chiral metal-organic framework material and application thereof in chiral chromatographic column | 20210122 |
CN-112047982-A | Cinchonine cobalt-calcium complex | 20201009 |
WO-2021203195-A1 | Process for producing 4,5-dihydro-1h-pyrazoles and intermediates | 20200407 |
PMID | Publication Date | Title | Journal |
21476502 | 20110520 | Synthesis, conformational stability, and asymmetric transformation of atropisomeric 1,8-bisphenolnaphthalenes | The Journal of organic chemistry |
17437263 | 20070601 | Molecular modeling of chiral-modified zeolite HY employed in enantioselective separation | Chirality |
17907132 | 20070101 | General synthesis route to benanomicin-pradimicin antibiotics | Chemistry (Weinheim an der Bergstrasse, Germany) |
12298023 | 20020916 | Charging and deforming the pybox ligand: enantiomerically pure double helices and their interconversion | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 45.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 103.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 103.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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