3,4,5-Trimethoxybenzaldehyde dimethyl acetal - CAS 59276-37-8
Catalog: |
BB030323 |
Product Name: |
3,4,5-Trimethoxybenzaldehyde dimethyl acetal |
CAS: |
59276-37-8 |
Synonyms: |
5-(dimethoxymethyl)-1,2,3-trimethoxybenzene |
IUPAC Name: | 5-(dimethoxymethyl)-1,2,3-trimethoxybenzene |
Description: | 3,4,5-Trimethoxybenzaldehyde dimethyl acetal (CAS# 59276-37-8) is an analogue to 3,4,5-Trimethoxybenzaldehyde dimethyl acetal (59276-37-8 #CAS), which may be used to synthesize 3,5-Dimethoxy-4-ethylbenzaldehyde; an intermediate for preparing 4-Akyl-3,5-dihydroxy-substituted trans-stilbenes. |
Molecular Weight: | 242.27 |
Molecular Formula: | C12H18O5 |
Canonical SMILES: | COC1=CC(=CC(=C1OC)OC)C(OC)OC |
InChI: | InChI=1S/C12H18O5/c1-13-9-6-8(12(16-4)17-5)7-10(14-2)11(9)15-3/h6-7,12H,1-5H3 |
InChI Key: | PEZMUQHWXSFOIK-UHFFFAOYSA-N |
Boiling Point: | 292.3 ℃ at 760 mmHg |
Density: | 1.147 g/cm3 |
MDL: | MFCD01321359 |
LogP: | 2.00380 |
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-2018029264-A1 | Process for preparation of dapagliflozin and intermediates thereof | 20160810 |
US-2016168113-A1 | Indenyl compounds, pharmaceutical compositions, and medical uses thereof | 20141216 |
CN-103408425-A | Method for taking lappaconitine derivative as catalyst to prepare chirality Alpha-hydroxy-Beta-dicarbonyl compound | 20130726 |
CA-2799653-A1 | Substituted isoquinolines and their use as tubulin polymerization inhibitors | 20100604 |
EP-2576514-A1 | Substituted isoquinolines and their use as tubulin polymerization inhibitors | 20100604 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.11542367 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.11542367 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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