1314319-01-1

Basic information

• Product Name: 1-tert-butyl 4-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylate
• CAS NO: 1314319-01-1
• Molecular Weight: 291.775
• Mol File: 1314319-01-1.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: 1-tert-butyl 4-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-tert-butyl 4-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylate(1314319-01-1)
• EPA Substance Registry System: 1-tert-butyl 4-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylate(1314319-01-1)

Safety Data

• Hazardous Substances Data: 1314319-01-1(Hazardous Substances Data)

Usage

Chemical class

piperidine derivative

Explanation

It is a chemical compound that belongs to the piperidine class, which is a group of organic compounds consisting of a six-membered nitrogen-containing heterocyclic ring.

Explanation

A tert-butyl group is an organic group consisting of three methyl (CH3) groups attached to a single carbon atom. It is a type of alkyl group.

Explanation

A methyl group is an organic group consisting of one carbon atom bonded to three hydrogen atoms. It is the simplest alkyl group.

Explanation

A chloromethyl group is an organic group consisting of a carbon atom bonded to a hydrogen atom and a chlorine atom. It is a type of halogenated alkyl group.
5. 1,4-dicarboxylate functional group

Explanation

The compound contains two carboxyl (COOH) groups attached to the piperidine ring at positions 1 and 4, forming a 1,4-dicarboxylate functional group.
6. Pharmaceutical research and drug development

Explanation

1-tert-butyl 4-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylate is commonly used in pharmaceutical research and drug development due to its potential therapeutic properties.
7. Analgesic and anesthetic effects

Explanation

The compound may possess analgesic (pain-relieving) and anesthetic (numbing) effects, making it a potential candidate for the treatment of pain and other related conditions.
8. Potential use in central nervous system disorders

Explanation

The compound is being investigated for its potential use in the treatment of central nervous system disorders, such as anxiety, depression, and epilepsy, due to its potential effects on neurotransmitters and neuronal activity.
9. Handling precautions

Explanation

It is important to handle 1-tert-butyl 4-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylate with caution, as it may pose health hazards if not properly used and handled. Proper safety measures, such as wearing gloves and using appropriate ventilation, should be taken to minimize risks.

tert-butyl group

C(CH3)3

Methyl group

CH3

Chloromethyl group

CH2Cl

Upstream product

• 593-71-5 Chloroiodomethane 
• 124443-68-1 1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate 

Downstream Products

• 1312131-45-5 tert-butyl 4-(chloromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate 
• 1314319-14-6 C₂₀H₃₀N₂O₂ 
• 1314319-17-9 C₂₁H₃₀N₂O₄ 
• 1334782-79-4 (R)-2-(2-methylimidazo[2,1-b]thiazol-6-yl)-1-(2-(5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl)ethanone 
• 1334785-10-2 tert-butyl 2-[(R)-5-(4-carbamoylphenyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate 
• 1334785-11-3 4-[(R)-1-(2,7-diaza-spiro[3.5]non-2-yl)-indan-5-yl]-benzamide hydrochloride 
• 1334782-54-5 2-(4-methoxyphenyl)-1-{2-[(1R)-5-(pyrimidin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]non-7-yl}ethanone 
• 1334783-29-7 4-[(1R)-1-{7-[(7-methylimidazo[1,2-a]pyridin-2-yl)acetyl]-2,7-diazaspiro[3.5]non-2-yl}-2,3-dihydro-1H-inden-5-yl]benzamide 
• 1334785-21-5 5-methyl-2-{2-oxo-2-[2-((R)-5-pyrimidin-2-yl-indan-1-yl)-2,7-diaza-spiro[3.5]non-7-yl]ethyl}benzoic acid 
• 1334783-53-7 5-methyl-2-(2-oxo-2-{2-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]non-7-yl}ethyl)benzamide 
• 1334783-47-9 7-[(4-methoxyphenyl)acetyl]-2-[(1R)-5-(2H-1,2,3-triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane 
• 1334782-53-4 7-[(4-methoxyphenyl)acetyl]-2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane 

Relevant articles and documents

Synthesis of PF-6870961, a major hydroxy metabolite of the novel ghrelin receptor inverse agonist PF-5190457

Preclinical and human studies have indicated involvement of the ghrelin system in alcohol-related behaviors illuminating the possibility of using ghrelin receptor blockers as a pharmacological intervention for alcohol use disorder (AUD). Preliminary data from a recently conducted phase 1b human study with a ghrelin receptor inverse agonist, PF-5190457 (2-(2-methylimidazo[2,1-b][1,3thiazol-6-yl)-1-{2-(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]non-7-ylethanone), provided evidence on the safety and tolerability of this compound when co-administered with alcohol. Furthermore, the study revealed important information on the biotransformation pathways for this compound and prompted the discovery and then synthesis of a newly identified major metabolite, PF-6870961 ((R)-1-(2-(5-(2-hydroxy-6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonan-7-yl)-2-(2-methylimidazo[2,1-b]thiazol-6-yl)ethan-1-one). The metabolite was synthesized and fully characterized through a design that enabled it to be prepared in useful quantities. The synthesis provided direct access to the recently discovered PF-6870961 and is allowing researchers to conduct additional and deeper evaluation of its in vitro and in vivo properties.

Identification of potent, selective, CNS-targeted inverse agonists of the ghrelin receptor

The optimization for selectivity and central receptor occupancy for a series of spirocyclic azetidine-piperidine inverse agonists of the ghrelin receptor is described. Decreased mAChR muscarinic M2 binding was achieved by use of a chiral indane in place of a substituted benzylic group. Compounds with desirable balance of human in vitro clearance and ex vivo central receptor occupancy were discovered by incorporation of heterocycles. Specifically, heteroaryl rings with nitrogen(s) vicinal to the indane linkage provided the most attractive overall properties.

One-pot synthesis of chiral azetidines from chloroaldehyde and chiral amines

A variety of chiral azetidinepiperidines have been synthesized utilizing an expedient one-pot union of piperidine chloroaldehyde with chiral amines. This two step one-pot procedure provides access to an interesting set of compounds that retain the chiral