1-Methyl-4-(tributylstannyl)imidazole - CAS 446285-73-0
Catalog: |
BB025667 |
Product Name: |
1-Methyl-4-(tributylstannyl)imidazole |
CAS: |
446285-73-0 |
Synonyms: |
tributyl-(1-methyl-4-imidazolyl)stannane; tributyl-(1-methylimidazol-4-yl)stannane |
IUPAC Name: | tributyl-(1-methylimidazol-4-yl)stannane |
Description: | 1-Methyl-4-(tributylstannyl)imidazole (CAS# 446285-73-0) is used as a reagent in the synthesis of methylthiopyrazole epothilone B which is a highly potent anticancer drug. |
Molecular Weight: | 371.15 |
Molecular Formula: | C16H32N2Sn |
Canonical SMILES: | CCCC[Sn](CCCC)(CCCC)C1=CN(C=N1)C |
InChI: | InChI=1S/C4H5N2.3C4H9.Sn/c1-6-3-2-5-4-6;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3; |
InChI Key: | WCEWCRAPSCLFOV-UHFFFAOYSA-N |
Flash Point: | Not applicable |
Purity: | 95 % |
Density: | 1.128 g/mL at 25 °C |
MDL: | MFCD13193061 |
LogP: | 4.47620 |
Refractive Index: | n20/D 1.509 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P273, P280, P301+P310, P302+P352, P305+P351+P338, P312, P314, P321, P322, P330, P332+P313, P337+P313, P362, P363, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021209539-A1 | Pyrrolo[1,2-d][1,2,4]triazine-2-yl-acetamides as inhibitors of the nlrp3 inflammasome pathway | 20200415 |
WO-2021197276-A1 | Amide compounds and uses thereof | 20200330 |
WO-2021134004-A1 | Cyclic compounds and methods of using same | 20191227 |
WO-2021055744-A1 | 4-substituted indole and indazole sulfonamido derivatives as parg inhibitors | 20190920 |
US-2021047294-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 372.158752 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 372.158752 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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