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4-TERT-BUTYL-2-CHLOROPYRIMIDINE is an organic compound that belongs to the class of pyrimidine derivatives, which are heterocyclic compounds containing a ring structure with two nitrogen atoms. It is specifically classified as a chloropyrimidine, meaning it contains both a chlorine atom and a pyrimidine ring. 4-TERT-BUTYL-2-CHLOROPYRIMIDINE also features a tert-butyl group, which is a branched alkyl group consisting of four carbon atoms.

66522-06-3

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66522-06-3 Usage

Uses

Used in Organic Synthesis:
4-TERT-BUTYL-2-CHLOROPYRIMIDINE is used as a building block in organic synthesis for the creation of more complex molecules. Its unique structure allows for the formation of various chemical bonds and reactions, making it a versatile component in the synthesis of a wide range of compounds.
Used in Chemical Research:
4-TERT-BUTYL-2-CHLOROPYRIMIDINE is utilized in chemical research to study the properties and behavior of pyrimidine derivatives and chloropyrimidines. Its presence in various chemical reactions can provide insights into the reactivity and stability of similar compounds, contributing to the advancement of chemical knowledge.
Used in Pharmaceutical Industry:
4-TERT-BUTYL-2-CHLOROPYRIMIDINE may have applications in the pharmaceutical industry as a precursor or intermediate in the synthesis of pharmaceutical compounds. Its unique structure and reactivity can be harnessed to develop new drugs or improve the synthesis of existing ones.
Used in Agricultural Industry:
4-TERT-BUTYL-2-CHLOROPYRIMIDINE may also find use in the agricultural industry, potentially as a component in the development of agrochemicals or as a building block for the synthesis of compounds with pesticidal or herbicidal properties.
Used in Industrial Processes:
4-TERT-BUTYL-2-CHLOROPYRIMIDINE may be employed in various industrial processes, where its unique structure and reactivity can be utilized for the synthesis of specialty chemicals, materials, or other products that require specific properties or functions.

Check Digit Verification of cas no

The CAS Registry Mumber 66522-06-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,6,5,2 and 2 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 66522-06:
(7*6)+(6*6)+(5*5)+(4*2)+(3*2)+(2*0)+(1*6)=123
123 % 10 = 3
So 66522-06-3 is a valid CAS Registry Number.

66522-06-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(tert-butyl)-2-chloropyrimidine

1.2 Other means of identification

Product number -
Other names 4-tert-butyl-2-chloropyrimidine

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:66522-06-3 SDS

66522-06-3Downstream Products

66522-06-3Relevant academic research and scientific papers

Correlating cobalt redox couples to photovoltage in the dye-sensitized solar cell

Chen, Kitty Y.,Schauer, Phil A.,Patrick, Brian O.,Berlinguette, Curtis P.

, p. 11942 - 11952 (2018)

We report a series of structurally analogous cobalt mediators related to [Co-bpy]Z (bpy = 2,2′-bipyrimidine, Z = 2+ or 3+) to demonstrate a linear relationship between the redox potential of the Co(iii/ii)-based redox couple (Emed) and open-circuit voltage (VOC) of the DSSC. The Emed values vary from 0.42 to 1.07 V vs. NHE depending on the number of nitrogen atoms and the presence of tert-butyl substituents on the ligand. A 64-mV gain in photovoltage was calculated for every +100 mV shift in Emed. Differences in the mediator sizes, diffusion coefficients, light absorption profiles, and spin state configurations for the complexes were not significant and therefore not expected to contribute to changes in the VOC. A decrease in the photocurrent, downward shift in quasi-Fermi level (EF,n) and shorter electron lifetime (Tn) with increasingly positive Emed were instead attributed to enhanced electron recombination from the TiO2 film to oxidized mediator species in the electrolyte.

Mn(II)-catalyzed C-H alkylation of imidazopyridines and N-heteroarenes via decarbonylative and cross-dehydrogenative coupling

Samanta, Sadhanendu,Hajra, Alakananda

, p. 4363 - 4371 (2019/03/26)

A Mn(II)-catalyzed efficient C-H alkylation of imidazoheterocycles and N-heteroarenes with aliphatic aldehydes has been developed via oxidative decarbonylation. Other alkylating agents such as cyclic alkanes, ethers, and alcohols also coupled with N-heteroarenes through cross-dehydrogenative coupling. Regioselectively C5-alkylated imidazoheterocycles were synthesized in good yields. Experimental results show that radical pathway might be involved in this reaction.

Functional Pyrimidinyl Pyrazolate Pt(II) Complexes: Role of Nitrogen Atom in Tuning the Solid-State Stacking and Photophysics

Ganesan, Paramaguru,Hung, Wen-Yi,Tso, Jen-Yung,Ko, Chang-Lun,Wang, Tsai-Hui,Chen, Po-Ting,Hsu, Hsiu-Fu,Liu, Shih-Hung,Lee, Gene-Hsiang,Chou, Pi-Tai,Jen, Alex K.-Y.,Chi, Yun

, (2019/05/15)

Pt(II) metal complexes are known to exhibit strong solid-state aggregation and are promising for realization of efficient emission in fabrication of organic light emitting diodes (OLED) with nondoped emitter layer. Four pyrimidine–pyrazolate based chelates, together with four isomeric Pt(II) metal complexes, namely: [Pt(pm2z)2], [Pt(tpm2z)2], [Pt(pm4z)2], and [Pt(tpm4z)2], are isolated and systematically investigated for their structure–property relationships for practical OLED applications. Detailed single molecular and aggregated structures are revealed by photophysical and mechanochromic measurements, grazing-incidence X-ray diffraction, and theoretical approaches. These results suggest that these Pt(II) emitters pack like a deck of playing cards under vacuum deposition, and their emission energy is not only affected by the single molecular designs, but notably influenced by their intermolecular packing interaction, i.e., Pt···Pt separations that are arranged in the order: [Pt(tpm4z)2] > [Pt(pm4z)2] > [Pt(tpm2z)2] > [Pt(pm2z)2]. Nondoped OLED with emission ranging from green to red are prepared, to which the best performances are recorded for [Pt(tpm2z)2], giving maximum external quantum efficiency (EQE) of 27.5% at 103 cd m?2, maximum luminance of 2.5 × 105 cd m?2 at 17 V, and with stable CIEx,y of (0.56, 0.44).

2-Amino-1,3,5-triazine chemistry: hydrogen-bond networks, Takemoto thiourea catalyst analogs, and olfactory mapping of a sweet-smelling triazine

Hintermann, Lukas,P?thig, Alexander,Xiao, Li

supporting information, p. 1529 - 1539 (2015/08/18)

Abstract The chemistry of 4,6-dialkyl-2-amino-1,3,5-triazines with bulky alkyl substituents was investigated and their use as building blocks for preparing chiral thiourea organocatalysts explored. Reaction of ammonia with 4,6-di-tert-butyl-2-chloro-1,3,5-triazine gave 4,6-di-tert-butyl-1,3,5-triazin-2-amine which formed extended hydrogen-bond networks in the solid state according to X-ray crystallography. Selected heterocyclic amines were converted to isothiocyanates, and the latter reacted with (S,S)-2-(dimethylamino)cyclohexylamine to give enantiopure 1-hetaryl-3-[2-(dimethylamino)cyclohexyl]thioureas, with hetaryl representing either 4,6-dimethyl-1,3-diazin-2-yl, 4,6-diisopropyl-1,3,5-triazin-2-yl, or 4,6-di-tert-butyl-1,3,5-triazin-2-yl groups. These compounds are structural analogs of Takemotos's chiral thiourea organocatalysts (1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)cyclohexyl]thiourea) with an aza-aryl instead of the 3,5-bis(trifluoromethyl)phenyl group. They feature a strong intramolecular N-H to N-1 hydrogen bond, as shown by X-ray crystallography of 1-(4,6-di-tert-butyl-1,3,5-triazin-2-yl)-3-[2-(dimethylamino)cyclohexyl]thiourea in the solid state and by 1H NMR spectroscopy of all derivatives in CDCl3 solution, which prevents them from acting as bifunctional organocatalyst. In the reaction of 4,6-di-tert-butyl-2-chloro-1,3,5-triazine with ammonia, 4,6-di-tert-butyl-2-ethoxy-1,3,5-triazine was identified as side-product displaying a mildly sweet, floral odor that is unusual for a 1,3,5-triazine. Analogs (>35) of 4,6-di-tert-butyl-2-ethoxy-1,3,5-triazine were prepared to define the important structural factors of the olfactophore.

Silver catalysed decarboxylative alkylation and acylation of pyrimidines in aqueous media

Mai, Wen-Peng,Sun, Bin,You, Li-Qin,Yang, Liang-Ru,Mao, Pu,Yuan, Jin-Wei,Xiao, Yong-Mei,Qu, Ling-Bo

, p. 2750 - 2755 (2015/04/21)

Decarboxylative alkylation or acylation reactions of simple pyrimidines have been developed in aqueous media. Using aliphatic carboxylic acids or 2-oxocarboxylic acids and pyrimidines as substrates and silver as the catalyst, the 4-substituted alkyl or ac

Synthesis of 4-substituted 2-(4-methylpiperazino)pyrimidines and quinazoline analogs as serotonin 5-HT2A receptor ligands

Saczewski, Jaroslaw,Paluchowska, Aldona,Klenc, Jeffrey,Raux, Elizabeth,Barnes, Samuel,Sullivan, Shannon,Duszynska, Beata,Bojarski, Andrzej J.,Strekowskia, Lucjan

experimental part, p. 1259 - 1265 (2010/03/23)

(Chemical Equation Presented) The addition reaction of lithium reagents to the 4 position of 2-chloropyrimidine or 2-chloroquinazoline followed by oxidation of the resultant dihydro intermediate product is a powerful tool for the synthesis of 4-substitute

Optimization of 2-aminothiazole derivatives as CCR4 antagonists

Wang, Xuemei,Xu, Feng,Xu, Qingge,Mahmud, Hossen,Houze, Jonathan,Zhu, Liusheng,Akerman, Michelle,Tonn, George,Tang, Liang,McMaster, Brian E.,Dairaghi, Daniel J.,Schall, Thomas J.,Collins, Tassie L.,Medina, Julio C.

, p. 2800 - 2803 (2007/10/03)

A series of 2-aminothiazole-derived antagonists of the CCR4 receptor has been synthesized and their affinity for the receptor evaluated using a [125I]TARC (CCL17) displacement assay. Optimization of these compounds for potency and pharmacokinetic properties led to the discovery of potent, orally bioavailable antagonists.

SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE

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Page/Page column 70, (2010/10/20)

The present invention relates to pyridines, pyrimidines and derivatives thereof, and pharmaceutically acceptable salts thereof. Also included is a method of treatment of inflammation, rheumatoid arthritis, Pagets disease, osteoporosis, multiple myeloma, uveititis, acute or chronic myelogenous leukemia, pancreatic beta cell destruction, osteoarthritis, rheumatoid spondylitis, gouty arthritis, inflammatory bowel disease, adult respiratory distress syndrome (ARDS), psoriasis, Crohn's disease, allergic rhinitis, ulcerative colitis, anaphylaxis, contact dermatitis, asthma, muscle degeneration, cachexia, Reiter's syndrome, type I diabetes, type II diabetes, bone resorption diseases, graft vs. host reaction, Alzheimer's disease, stroke, myocardial infarction, ischemia reperfusion injury, atherosclerosis, brain trauma, multiple sclerosis, cerebral malaria, sepsis, septic shock, toxic shock syndrome, fever, myalgias due to HIV-1, HIV-2, HIV-3, cytomegalovirus (CMV), influenza, adenovirus, the herpes viruses or herpes zoster infection in a mammal comprising administering an effective amount a compound as described above.

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