1-Tritylimidazole-4-carboxaldehyde - CAS 33016-47-6
Catalog: |
BB021522 |
Product Name: |
1-Tritylimidazole-4-carboxaldehyde |
CAS: |
33016-47-6 |
Synonyms: |
1-(triphenylmethyl)-4-imidazolecarboxaldehyde; 1-tritylimidazole-4-carbaldehyde |
IUPAC Name: | 1-tritylimidazole-4-carbaldehyde |
Description: | 1-Tritylimidazole-4-carboxaldehyde (CAS# 33016-47-6) is an intermediate in the preparation of dialkylimidazole based sterol 14α-demethylase inhibitors as potential anti-trypanosoma cruzi agents. |
Molecular Weight: | 338.40 |
Molecular Formula: | C23H18N2O |
Canonical SMILES: | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C=O |
InChI: | InChI=1S/C23H18N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H |
InChI Key: | YQYLLBSWWRWWAY-UHFFFAOYSA-N |
Boiling Point: | 502.8 °C at 760 mmHg |
Density: | 1.1 g/cm3 |
MDL: | MFCD02179554 |
LogP: | 4.53580 |
GHS Hazard Statement: | H315 (90%): 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-112194626-A | Synthesis method of medetomidine | 20201116 |
CN-111253316-A | Preparation method of dexmedetomidine hydrochloride | 20200331 |
KR-102253950-B1 | Novel method for the preparation of Medetomidine | 20190724 |
KR-20210012112-A | Novel method for the preparation of Medetomidine | 20190724 |
WO-2020016827-A1 | Purified crystalline detomidine hydrochloride monohydrate, anhydrate and free base with low amounts of iso-detomidine and other impurities by recrystallisation in water | 20180718 |
Complexity: | 402 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 338.141913202 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 338.141913202 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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