3-(1-Phenyl-ethyl)-3H-imidazole-4-carboxylic Acid - CAS 7036-56-8
Catalog: |
BB058123 |
Product Name: |
3-(1-Phenyl-ethyl)-3H-imidazole-4-carboxylic Acid |
CAS: |
7036-56-8 |
Synonyms: |
(±)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylic Acid1-(1-Phenylethyl)-1H-imidazole-5-carboxylic Acid;2-(1-Phenylethyl)-3H-imidazole-4-carboxylic Acid;NSC 168567 |
Related CAS: | 3157-27-5
|
IUPAC Name: | 3-(1-phenylethyl)imidazole-4-carboxylic acid |
Description: | 3-(1-Phenyl-ethyl)-3H-imidazole-4-carboxylic Acid (cas# 3157-27-5) is used as a reagent in herbicides. |
Molecular Weight: | 216.23 |
Molecular Formula: | C12H12N2O2 |
Canonical SMILES: | CC(C1=CC=CC=C1)N2C=NC=C2C(=O)O |
InChI: | InChI=1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16) |
InChI Key: | RGYCCBLTSWHXIS-UHFFFAOYSA-N |
References: | Van, G., et al. Eur. Pat. Appl. 42pp. (1987). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021068943-A1 | Substituted nitrogen heterocyclic compound and anesthetic effect thereof | 20191011 |
WO-2019149228-A1 | Substituted imidazole formate derivative and use thereof | 20180130 |
EP-3747869-A1 | Substituted imidazole formate derivative and use thereof | 20180130 |
US-2020369621-A1 | Substituted imidazolecarboxylate derivatives and the use thereof | 20180130 |
US-2020277264-A1 | Compounds for Treating Disorders Associated with Abnormal Steroidogenesis | 20170928 |
KR-20180062786-A | Slurry composition for chemical mechanical polishing and polishing method using the same | 20161201 |
AU-2014373186-B2 | N-substituted imidazole carboxylic ester chiral compound containing ether side chain, preparation method and application | 20131223 |
EP-3088394-A1 | N-substituted imidazole carboxylic ester chiral compound containing ether side chain, preparation method and application | 20131223 |
EP-3088394-B1 | Chiral methoxyethyl etomidate compound, its prepartion and application as anesthesia | 20131223 |
JP-2016540795-A | Chiral N-substituted imidazole carboxyl ester compound having ether side chain, its production method and use | 20131223 |
PMID | Publication Date | Title | Journal |
22243422 | 20120131 | Mapping general anesthetic binding site(s) in human α1β3 γ-aminobutyric acid type A receptors with [³H]TDBzl-etomidate, a photoreactive etomidate analogue | Biochemistry |
21194017 | 20110201 | GABA(A) receptors as molecular targets of general anesthetics: identification of binding sites provides clues to allosteric modulation | Canadian journal of anaesthesia = Journal canadien d'anesthesie |
20735416 | 20100901 | New insights into the molecular mechanisms of general anaesthetics | British journal of pharmacology |
18524766 | 20080808 | Identification of binding sites in the nicotinic acetylcholine receptor for TDBzl-etomidate, a photoreactive positive allosteric effector | The Journal of biological chemistry |
16884293 | 20060810 | Synthesis of trifluoromethylaryl diazirine and benzophenone derivatives of etomidate that are potent general anesthetics and effective photolabels for probing sites on ligand-gated ion channels | Journal of medicinal chemistry |
16688452 | 20060801 | [18F]FETO: metabolic considerations | European journal of nuclear medicine and molecular imaging |
16568205 | 20060601 | [18F]FETO for adrenocortical PET imaging: a pilot study in healthy volunteers | European journal of nuclear medicine and molecular imaging |
12845489 | 20031001 | In vivo and in vitro evaluation of [18F]FETO with respect to the adrenocortical and GABAergic system in rats | European journal of nuclear medicine and molecular imaging |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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