3-Ethoxy-4-methoxybenzaldehyde - CAS 1131-52-8
Catalog: |
BB003121 |
Product Name: |
3-Ethoxy-4-methoxybenzaldehyde |
CAS: |
1131-52-8 |
Synonyms: |
3-ethoxy-4-methoxybenzaldehyde |
IUPAC Name: | 3-ethoxy-4-methoxybenzaldehyde |
Description: | 3-Ethoxy-4-methoxybenzaldehyde (CAS# 1131-52-8) is used in the preparation of PDE4 inhibitors. Also used in the preparation of berberine analogues, as LDL-receptor upregulators.Dyes and metabolites. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CCOC1=C(C=CC(=C1)C=O)OC |
InChI: | InChI=1S/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3 |
InChI Key: | VAMZHXWLGRQSJS-UHFFFAOYSA-N |
Boiling Point: | 289.4 ℃ at 760 mmHg |
Density: | 1.088 g/cm3 |
Appearance: | White to tan powder, crystals, crystalline powder and/or chunks |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00010128 |
LogP: | 1.90640 |
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-112578038-A | Analysis and detection method for berberine hydrochloride bulk drug | 20201117 |
CN-111943875-A | Preparation method of PDE-4 inhibitor intermediate | 20200106 |
CN-111943875-B | Preparation method of PDE-4 inhibitor intermediate | 20200106 |
US-11008288-B1 | Methods for preparation of apremilast | 20191230 |
WO-2020154420-A2 | Amino acid derivatives for the treatment of inflammatory diseases | 20190122 |
PMID | Publication Date | Title | Journal |
11371019 | 20010301 | Propolis from Chilean matorral hives | Zeitschrift fur Naturforschung. C, Journal of biosciences |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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