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1-(1-Trityl-1H-imidazol-4-yl)-ethanone is an organic compound characterized by its trityl group attached to an imidazole ring, which is further connected to an ethanone moiety. This unique structure endows it with specific chemical properties that make it a valuable intermediate in various synthetic processes.

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  • 116795-55-2 Structure
  • Basic information

    1. Product Name: 1-(1-Trityl-1H-iMidazol-4-yl)-ethanone
    2. Synonyms: 1-(1-Trityl-1H-iMidazol-4-yl)-ethanone;1-[1-(triphenylMethyl)-1H-iMidazol-4-yl]ethan-1-one
    3. CAS NO:116795-55-2
    4. Molecular Formula: C24H20N2O
    5. Molecular Weight: 352.4284
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 116795-55-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 507.2 °C at 760 mmHg
    3. Flash Point: 260.6 °C
    4. Appearance: /
    5. Density: 1.09 g/cm3
    6. Vapor Pressure: 2.07E-10mmHg at 25°C
    7. Refractive Index: 1.606
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-(1-Trityl-1H-iMidazol-4-yl)-ethanone(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(1-Trityl-1H-iMidazol-4-yl)-ethanone(116795-55-2)
    12. EPA Substance Registry System: 1-(1-Trityl-1H-iMidazol-4-yl)-ethanone(116795-55-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 116795-55-2(Hazardous Substances Data)

116795-55-2 Usage

Uses

Used in Pharmaceutical Industry:
1-(1-Trityl-1H-imidazol-4-yl)-ethanone is used as a synthetic reactant for the preparation of Imidazolyl Benzothiophene derivatives, which are of interest in the development of new pharmaceutical agents due to their potential biological activities and therapeutic applications.
Used in Biochemical Research:
1-(1-Trityl-1H-imidazol-4-yl)-ethanone is utilized in the study of C17,20-lyase inhibitors, which are enzymes involved in the biosynthesis of steroid hormones. 1-(1-Trityl-1H-imidazol-4-yl)-ethanone serves as a valuable tool in understanding the enzyme's mechanism and structure, aiding in the design of more effective inhibitors for the treatment of hormone-related disorders.

Check Digit Verification of cas no

The CAS Registry Mumber 116795-55-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,6,7,9 and 5 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 116795-55:
(8*1)+(7*1)+(6*6)+(5*7)+(4*9)+(3*5)+(2*5)+(1*5)=152
152 % 10 = 2
So 116795-55-2 is a valid CAS Registry Number.
InChI:InChI=1/C24H20N2O/c1-19(27)23-17-26(18-25-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3

116795-55-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(1-tritylimidazol-4-yl)ethanone

1.2 Other means of identification

Product number -
Other names 1-<1-(triphenylmethyl)-1H-imidazol-4-yl>ethanone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:116795-55-2 SDS

116795-55-2Relevant articles and documents

Method for preparing dexmedetomidine and intermediate thereof

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Paragraph 0051-0053, (2017/04/03)

The invention provides a method for preparing dexmedetomidine and an intermediate thereof. Specifically speaking, the method comprises the steps that a compound shown as a formula II (please see the formula in the description) reacts with metal magnesium to prepare a metal magnesium Grignard reagent, and then the metal magnesium Grignard reagent reacts with a compound shown as a formula III (please see the formula in the description). The process has the advantages of being few in step, high in yield, easy to operate, high in product purity and the like and is quite suitable for large-scale industrialized production.

6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR

-

Page/Page column 113, (2015/05/06)

The invention relates to novel compounds of Formula I: wherein A, Y, R1, R2 and the subscript b each has the meaning as described herein and compounds of Formula I, and stereoisomers, geometric isomers, tautomers, solvates, metabolites, isotopes, pharmaceutically acceptable salts, or prodrugs thereof. Compounds of Formula I and pharmaceutical compositions thereof are useful in the treatment of disease and disorders in which undesired or over-activation of NF-kB signaling is observed.

PYRAZOLE DERIVATIVES AS CYTOCHROME P450 INHIBITORS

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, (2008/06/13)

The present invention provides compounds of formula (I), or pharmaceutically acceptable salts or solvates thereof, methods for their preparation, methods for their use, and pharmaceutical formulations comprising them.

Organic compounds

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Page/Page column 29, (2010/11/26)

The present invention provides a compound of formula I: Said compound is inhibitor of aldosterone synthase and aromatase, and thus can be employed for the treatment of a disorder or disease mediated by aldosterone synthase or aromatase. Accordingly, the compound of formula I can be used in treatment of hypokalemia, hypertension, congestive heart failure, atrial fibrillation, renal failure, in particular, chronic renal failure, restenosis, atherosclerosis, syndrome X, obesity, nephropathy, post-myocardial infarction, coronary heart diseases, inflammation, increased formation of collagen, fibrosis such as cardiac or myocardiac fibrosis and remodeling following hypertension and endothelial dysfunction, gynecomastia, osteoporosis, prostate cancer, endometriosis, uterine fibroids, dysfunctional uterine bleeding, endometrial hyperplasia, polycystic ovarian disease, infertility, fibrocystic breast disease, breast cancer and fibrocystic mastopathy. Finally, the present invention also provides a pharmaceutical composition.

Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration

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Page/Page column 31, (2010/02/05)

Compounds of the formula (I): wherein R1, R2, R3, R4, R5, R6, p, q, and n are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti-cell-proliferation) effect in a warm-blooded animal, such as man.

C17,20-lyase inhibitors I. Structure-based de novo design and SAR study of C17,20-lyase inhibitors.

Matsunaga, Nobuyuki,Kaku, Tomohiro,Itoh, Fumio,Tanaka, Toshimasa,Hara, Takahito,Miki, Hiroshi,Iwasaki, Masahiko,Aono, Tetsuya,Yamaoka, Masuo,Kusaka, Masami,Tasaka, Akihiro

, p. 2251 - 2273 (2007/10/03)

Novel nonsteroidal C(17,20)-lyase inhibitors were synthesized using de novo design based on its substrate, 17 alpha-hydroxypregnenolone, and several compounds exhibited potent C(17,20)-lyase inhibition. However, in vivo activities were found to be short-lasting, and in order to improve the duration of action, a series of benzothiophene derivatives were evaluated. As a result, compounds 9h, (S)-9i, and 9k with nanomolar enzyme inhibition (IC(50)=4-9 nM) and 9e (IC(50)=27 nM) were identified to have powerful in vivo efficacy with extended duration of action. The key structural determinants for the in vivo efficacy were demonstrated to be the 5-fluoro group on the benzothiophene ring and the 4-imidazolyl moiety. Superimposition of 9k and 17 alpha-hydroxypregnenolone demonstrated their structural similarity and enabled rationalization of the pharmacological results. In addition, selected compounds were also identified to be potent inhibitors of human enzyme with IC(50) values of 20-30 nM.

Synthesis of (Z)- and (E)-3-(1H-imidazol-4-yl)-2-propenamine and some 3-(1H-imidazol-4-yl)propanamines

Sellier, Christian,Buschauer, Armin,Elz, Sigurd,Schunack, Walter

, p. 317 - 324 (2007/10/02)

3-(1H-Imidazol-4-yl)propanamine (6, homohistamine), an essential intermediate for the synthesis of potent impromidine-type histamine H2 receptor agonists, is efficiently prepared from trans-urocanic acid (1) by reduction of the methyl ester 2 and conversion to the saturated amide 4.Dehydration with thionyl chloride yields the nitrile 5 which is subsequently reduced to 6.Side-chain methylated 3-(1H-imidazol-4-yl)propanamines 12 are available from 1H-imidazole-4-carbaldehyde (7) and 1-(1H-imidazol-4-yl)ethanone (8), respectively, via unsaturated nitriles 10 and stepwise reduction.Cyclization of the appropiate 4-bromo-5-oxohexanenitriles 14α with formamidine in liquid ammonia and reduction of the obtained nitriles 15 furnishes ring-methylated amines 16. (E)-3-(1H-Imidazol-4-yl)-2-propenamine is obtained in six steps from the trans-ester 2 while (Z)-23 is accessible by treating 7 with triphenyl(2-phthalimidoethyl)phosphonium bromide (17) and final deprotection.These primary amines are valuable intermediates for the synthesis of impromidine analogues. Key Words: Homohistamine / Imidazole derivatives / 2-Propenamine derivatives / Impromidine

Synthesis, absolute configuration, stereoselectivity, and receptor selectivity of (αR,βS)-α,β-dimethylhistamine, a novel highly potent histamine H3 receptor agonist

Lipp,Arrang,Garbarg,Luger,Schwartz,Schunack

, p. 4434 - 4441 (2007/10/02)

Depending on the selected synthetic pathway, structural variations of the neurotransmitter histamine led to mixtures of α,β-dimethylhistamines as well as to the corresponding pure optical isomers. One of these isomers, namely (αR,βS)-α,β-dimethylhistamine

Substituted 1H-imidazoles

-

, (2008/06/13)

New substituted 1H-imidazoles and their salts, processes for the preparation thereof and pharmaceutical compositions. These compounds have the formula STR1 wherein R1, R2, R3 and R5 =hydrogen or C1 -C4 -alkyl; R4 =hydrogen, C1 -C4 -alkyl or C1 -C4 -alkoxy; Y1 =hydrogen and Y2 =OZ2 or the reverse; Z1 =Z2 =hydrogen or C1 -C4 -alkyl or Z1 and Z2 =--CH2 -- or --C(CH3)2 --. These compounds are prepared either by reducing a corresponding imidazole compound having a hydroxyl or alkoxy group on the methyl bridge between the imidazole and phenyl rings, or by hydrolyzing a 4-[[2,2-dimethyl-4H-1,3-benzodioxin-6(or 8)-yl]methyl]-1H-imidazole, or yet by reducing an alkyl 3-[(1H-imidazol-4-yl)methyl]-2-hydroxybenzoate. These compounds have cardiac, cerebral and tissular anti-ischemic activities.

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