20364-31-2

Basic information

• Product Name: 4,4-Dimethyl-1,2,3,4-tetrahydroquinoline
• Synonyms: 4,4-Dimethyl-1,2,3,4-tetrahydroquinoline;Quinoline, 1,2,3,4-tetrahydro-4,4-dimethyl-
• CAS NO: 20364-31-2
• Molecular Formula: C₁₁H₁₅N
• Molecular Weight: 161.2435
• EINECS: 604-604-1
• Mol File: 20364-31-2.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 257℃
• Flash Point: 110℃
• Appearance: /
• Density: 0.944
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• PKA: 5.16±0.40(Predicted)
• CAS DataBase Reference: 4,4-Dimethyl-1,2,3,4-tetrahydroquinoline(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4-Dimethyl-1,2,3,4-tetrahydroquinoline(20364-31-2)
• EPA Substance Registry System: 4,4-Dimethyl-1,2,3,4-tetrahydroquinoline(20364-31-2)

Safety Data

• Hazardous Substances Data: 20364-31-2(Hazardous Substances Data)

Usage

General Description

4,4-Dimethyl-1,2,3,4-tetrahydroquinoline is a chemical compound with the molecular formula C13H17N. It is a heterocyclic compound, meaning it contains atoms of at least two different elements in its ring structure. 4,4-Dimethyl-1,2,3,4-tetrahydroquinoline is commonly used in the production of various pharmaceuticals and agrochemicals. Its structure consists of a quinoline ring with two methyl groups attached at the 4th position, and a tetrahydroquinoline moiety. It also possesses a chiral center, meaning it can exist as two enantiomers. 4,4-Dimethyl-1,2,3,4-tetrahydroquinoline has been studied for its potential medicinal properties, including its role as an antioxidant and its possible use in the treatment of neurodegenerative diseases.

Upstream product

• 76693-04-4 4,4-dimethyl-3,4-dihydro-1H-quinolin-2-one 
• 3350-78-5 3,3-Dimethylacryloyl chloride 
• 62-53-3 aniline 
• 541-47-9 3-Methylbutenoic acid 
• 13209-80-8 N-phenyl-3-methyl-2-butenamide 
• 7553-56-2 iodine 
• 78-79-5 isoprene 

Downstream Products

• 561297-79-8 4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-7-ylamine 
• 870072-60-9 4,4-dimethyl-1-(2-nitro-phenyl)-1,2,3,4-tetrahydroquinoline 
• 870072-61-0 2-(4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl)aniline 
• 1070973-20-4 4-[5-chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-(4,4-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonyl)-phenoxy]-butyric acid 
• 1070973-14-6 5-[2-chloro-5-(4,4-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonyl)-4-(4-hydroxy-butoxy)-phenyl]-2-trifluoromethyl-isonicotinonitrile 
• 1070973-17-9 4-[5-chloro-2-(4,4-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonyl)-4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-phenoxy]-butan-1-ol 
• 1070973-16-8 1-[4-bromo-5-chloro-2-(4,4-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonyl)-phenoxy]-butan-1-ol 
• 1070973-34-0 2-[4-bromo-5-chloro-2-(4,4-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonyl)-phenyl]-malonic acid dimethyl ester 
• 1070973-35-1 2-[4-bromo-5-chloro-2-(4,4-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonyl)-phenyl]-acetic acid methyl ester 
• 873056-12-3 tert-butyl 7-amino-3,4-dihydro-4,4-dimethylquinoline-1(2H)-carboxylate 
• 873056-11-2 4,4-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester 
• 1070973-15-7 1-(5-bromo-4-chloro-2-fluoro-benzenesulfonyl)-4,4-dimethyl-1,2,3,4-tetrahydro-quinoline 
• 561297-83-4 4,4-dimethyl-7-nitro-1,2,3,4-tetrahydroquinoline 

Relevant articles and documents

Synthesis, Reactivity, Functionalization, and ADMET Properties of Silicon-Containing Nitrogen Heterocycles

Silicon-containing compounds have been largely ignored in drug design and development, despite their potential to improve not only the potency but also the physicochemical and ADMET (absorption, distribution, metabolism, excretion, toxicity) properties of drug-like candidates because of the unique characteristics of silicon. This deficiency is in large part attributable to a lack of general methods for synthesizing diverse organosilicon structures. Accordingly, a new building block strategy has been developed that diverges from traditional approaches to incorporation of silicon into drug candidates. Flexible, multi-gram-scale syntheses of silicon-containing tetrahydroquinoline and tetrahydroisoquinoline building blocks are described, along with methods by which diversely functionalized silicon-containing nitrogen heterocycles can be rapidly built using common reactions optimized to accommodate the properties of silicon. Furthermore, to better clarify the liabilities and advantages of silicon incorporation, select compounds and their carbon analogues were challenged in ADMET-focused biological studies.

Conformationally constrained ortho- Anilino diaryl ureas: Discovery of 1-(2-(1′-Neopentylspiro[indoline-3,4′-piperidine]-1-yl)phenyl) -3-(4-(trifluoromethoxy)phenyl)urea, a potent, selective, and bioavailable P2Y1 antagonist

Preclinical antithrombotic efficacy and bleeding models have demonstrated that P2Y1 antagonists are efficacious as antiplatelet agents and may offer a safety advantage over P2Y12 antagonists in terms of reduced bleeding liabilities. In this article, we describe the structural modification of the tert-butyl phenoxy portion of lead compound 1 and the subsequent discovery of a novel series of conformationally constrained ortho-anilino diaryl ureas. In particular, spiropiperidine indoline-substituted diaryl ureas are described as potent, orally bioavailable small-molecule P2Y1 antagonists with improved activity in functional assays and improved oral bioavailability in rats. Homology modeling and rat PK/PD studies on benchmark compound 3l will also be presented. Compound 3l was our first P2Y1 antagonist to demonstrate a robust oral antithrombotic effect with mild bleeding liability in the rat thrombosis and hemostasis models.

COMPOUND HAVING 11 ?-HSD1 INHIBITORY ACTIVITY

The present invention provides compounds having excellent 11β-HSD1 inhibitory activity. A compound represented by the following formula (I): [wherein X1 represents an oxygen atom, or the formula -(CR11R12)p-, etc., Y1 represents a hydrogen atom, a hydroxyl group, etc., Z1 represents an oxygen atom or the formula -(NR14)-, R1 represents a hydrogen atom, a halogen atom, a cyano group, a C1-4 alkyl group, a C1-4 alkyl group substituted with 1 to 3 halogen atoms, a C1-4 alkoxy group, a C1-4 alkoxycarbonyl group, a carboxyl group, a carbamoyl group, or an amino group, and m represents an integer of 1 or 2, and R2 represents a hydrogen atom or a C1-4 alkyl group, and n represents an integer of 1 or 2].