1,2,4-Trimethoxybenzene - CAS 135-77-3
Catalog: |
BB008247 |
Product Name: |
1,2,4-Trimethoxybenzene |
CAS: |
135-77-3 |
Synonyms: |
1,2,4-trimethoxybenzene |
IUPAC Name: | 1,2,4-trimethoxybenzene |
Description: | 1,2,4-Trimethoxybenzene (CAS# 135-77-3) is used as a reagent in the synthesis of barbigerone derivatives which can be used as antiproliferative and antiangiogenesis agents. Also used as a reagent in the synthesis of Malvone A (M161525) which is a phytoalexin found in Malva sylvestris. |
Molecular Weight: | 168.19 |
Molecular Formula: | C9H12O3 |
Canonical SMILES: | COC1=CC(=C(C=C1)OC)OC |
InChI: | InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3 |
InChI Key: | AGIQIOSHSMJYJP-UHFFFAOYSA-N |
Boiling Point: | 247 °C |
Purity: | > 98 % |
Density: | 1.128 g/cm3 |
Appearance: | Clear light yellow to yellow-brown liquid |
MDL: | MFCD00008360 |
LogP: | 1.71240 |
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 |
22412565 | 20120301 | 2-(2,4,5-Trimeth-oxy-phen-yl)-2,3-dihydro-quinolin-4(1H)-one | Acta crystallographica. Section E, Structure reports online |
22412747 | 20120301 | 1-Methyl-2-[(E)-2,4,5-trimeth-oxy-styr-yl]-pyridinium benzene-sulfonate mono-hydrate | Acta crystallographica. Section E, Structure reports online |
22346952 | 20120201 | (E)-1-(Furan-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
22199901 | 20111201 | 1,5-Bis(thio-phen-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)pentane-1,5-dione | Acta crystallographica. Section E, Structure reports online |
21902275 | 20111104 | Direct functionalization of (un)protected tetrahydroisoquinoline and isochroman under iron and copper catalysis: two metals, two mechanisms | The Journal of organic chemistry |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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