2-Methoxy-4-methylbenzaldehyde - CAS 57415-35-7
Catalog: |
BB029699 |
Product Name: |
2-Methoxy-4-methylbenzaldehyde |
CAS: |
57415-35-7 |
Synonyms: |
2-methoxy-4-methylbenzaldehyde; 2-methoxy-4-methylbenzaldehyde |
IUPAC Name: | 2-methoxy-4-methylbenzaldehyde |
Description: | 2-Methoxy-4-methylbenzaldehyde acts as a reagent in the synthesis of [3,2-d]pyrimidine derivatives as week as in the synthesis of tachykinin NK2 receptor antagonists which may be used in the treatment of IBS. |
Molecular Weight: | 150.17 |
Molecular Formula: | C9H10O2 |
Canonical SMILES: | CC1=CC(=C(C=C1)C=O)OC |
InChI: | InChI=1S/C9H10O2/c1-7-3-4-8(6-10)9(5-7)11-2/h3-6H,1-2H3 |
InChI Key: | KVTOUUODKAHJCM-UHFFFAOYSA-N |
Boiling Point: | 258 °C |
Density: | 1.062 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06248007 |
LogP: | 1.81610 |
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 |
WO-2020120528-A1 | N-containing chromen-4-one derivatives for the treatment and prophylaxis of hepatitis b virus infection | 20181214 |
EP-3894402-A1 | N-containing chromen-4-one derivatives for the treatment and prophylaxis of hepatitis b virus infection | 20181214 |
WO-2020114477-A1 | Compound acting as immunomodulator, preparation method therefor and uses thereof | 20181206 |
WO-2020070088-A1 | Flavone derivatives for the treatment and prophylaxis of hepatitis b virus disease | 20181003 |
CN-112912371-A | Flavone derivatives for treating and preventing hepatitis B virus diseases | 20181003 |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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