Methyl 2-methyl-3-nitrobenzoate - CAS 59382-59-1
Catalog: |
BB030367 |
Product Name: |
Methyl 2-methyl-3-nitrobenzoate |
CAS: |
59382-59-1 |
Synonyms: |
methyl 2-methyl-3-nitrobenzoate |
IUPAC Name: | methyl 2-methyl-3-nitrobenzoate |
Description: | Methyl 2-methyl-3-nitrobenzoate (CAS# 59382-59-1) is used as a reagent to synthesize Lenalidomide (L328000). Lenalidomide is a compound that exhibits antimyeloma, anticancer and immunomodulatory activity and is used to treat patients with B-cell malignancies. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC |
InChI: | InChI=1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3 |
InChI Key: | CRZGFIMLHZTLGT-UHFFFAOYSA-N |
Boiling Point: | 286.6 °C at 760 mmHg |
Melting Point: | 62-65 °C |
Purity: | 95 % |
Density: | 1.255 g/cm3 |
Appearance: | Yellow to tan crystalline solid |
MDL: | MFCD00082564 |
LogP: | 2.21300 |
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 |
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PMID | Publication Date | Title | Journal |
14684303 | 20040105 | The discovery and synthesis of novel adenosine substituted 2,3-dihydro-1H-isoindol-1-ones: potent inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1) | Bioorganic & medicinal chemistry letters |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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