3,4,5-Trimethoxybenzoyl chloride - CAS 4521-61-3
Catalog: |
BB025794 |
Product Name: |
3,4,5-Trimethoxybenzoyl chloride |
CAS: |
4521-61-3 |
Synonyms: |
3,4,5-trimethoxybenzoyl chloride |
IUPAC Name: | 3,4,5-trimethoxybenzoyl chloride |
Description: | 3,4,5-Trimethoxybenzoyl chloride (CAS# 4521-61-3) is used as a reagent in the synthesis of 2-methyl-8-(3,4,5-trimethoxybenzamido)-1,2,3,4-tetrahydroisoquinoline and its analogs which display great antihypertensive activity. |
Molecular Weight: | 230.64 |
Molecular Formula: | C10H11ClO4 |
Canonical SMILES: | COC1=CC(=CC(=C1OC)OC)C(=O)Cl |
InChI: | InChI=1S/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3 |
InChI Key: | BUHYMJLFRZAFBF-UHFFFAOYSA-N |
Boiling Point: | 185 °C (18 mmHg) |
Melting Point: | 77-81 °C |
Purity: | 98 % |
Density: | 18518 g/cm3 |
Appearance: | Pale yellow crystal |
Storage: | Store at 0-5 °C |
MDL: | MFCD00000675 |
LogP: | 2.09140 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22563433 | 20120101 | Securin enhances the anti-cancer effects of 6-methoxy-3-(3',4',5'-trimethoxy-benzoyl)-1H-indole (BPR0L075) in human colorectal cancer cells | PloS one |
22219905 | 20111101 | N-(4-Hy-droxy-phen-yl)-3,4,5-trimeth-oxy-benzamide | Acta crystallographica. Section E, Structure reports online |
21579190 | 20100424 | N-(3,4-Difluoro-phen-yl)-3,4,5-trimethoxy-benzamide | Acta crystallographica. Section E, Structure reports online |
20054477 | 20091218 | Binding of natural and synthetic polyphenols to human dihydrofolate reductase | International journal of molecular sciences |
19575780 | 20090703 | Survivin counteracts the therapeutic effect of microtubule de-stabilizers by stabilizing tubulin polymers | Molecular cancer |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.0345865 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.0345865 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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