1-Methoxy-4-nitronaphthalene - CAS 4900-63-4
Catalog: |
BB026626 |
Product Name: |
1-Methoxy-4-nitronaphthalene |
CAS: |
4900-63-4 |
Synonyms: |
1-methoxy-4-nitronaphthalene |
IUPAC Name: | 1-methoxy-4-nitronaphthalene |
Description: | 1-Methoxy-4-nitronaphthalene (CAS# 4900-63-4) is used as a reagent in the synthesis of UMI-77 (U700850); a small molecule inhibitor of Mcl-1 which blocks and attenuates pancreatic cell cancer growth. Also an anticancer agent. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | COC1=CC=C(C2=CC=CC=C21)[N+](=O)[O-] |
InChI: | InChI=1S/C11H9NO3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3 |
InChI Key: | YFJKGPRYPHFGQD-UHFFFAOYSA-N |
Boiling Point: | 367.2 °C at 760 mmHg |
Density: | 1.274 g/cm3 |
MDL: | MFCD00003926 |
LogP: | 3.27980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110577470-A | method for catalyzing selective nitration of 2-naphthyl methyl ether by zeolite molecular sieve | 20191009 |
CN-110590558-A | Method for catalyzing selective nitration of 1-methoxynaphthalene by using zeolite molecular sieve | 20191009 |
US-2020298212-A1 | Iron oxide supported rhodium catalyst for nitroarene reduction | 20190320 |
US-2014235702-A1 | Small molecule inhibitors of mcl-1 and the uses of thereof | 20111006 |
US-9486422-B2 | Small molecule inhibitors of Mcl-1 and the uses of thereof | 20111006 |
PMID | Publication Date | Title | Journal |
19839627 | 20091203 | Excited-state dynamics of nitrated push-pull molecules: the importance of the relative energy of the singlet and triplet manifolds | The journal of physical chemistry. A |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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