115118-68-8

Basic information

• Product Name: Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate
• Synonyms: Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate;Diisopropyl 3,3-dimethoxy...;Dipropan-2-yl 3,3-dimethoxycyclobutane-1,1-dicarboxylate;1,1-bis(propan-2-yl) 3,3-dimethoxycyclobutane-1,1-dicarboxylate;Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate - D0238;Diisopropy1 3,3-dimethoxycrc1obutane-1
• CAS NO: 115118-68-8
• Molecular Formula: C₁₄H₂₄O₆
• Molecular Weight: 288.33676
• Mol File: 115118-68-8.mol

Chemical Properties

• Boiling Point: 92-94℃ (0.01 Torr)
• Appearance: /
• Density: 1.10±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate(115118-68-8)
• EPA Substance Registry System: Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate(115118-68-8)

Safety Data

• Hazardous Substances Data: 115118-68-8(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate is used as a building block for the synthesis of various organic compounds. Its unique structure allows for the creation of a wide range of molecules with diverse properties and applications.
Used in Pharmaceutical Research:
In the pharmaceutical industry, Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate is used as a starting material for the development of new drugs. Its cyclobutane ring may exhibit interesting biological activities, making it a promising candidate for further research and development.
However, it is important to note that the safety and potential hazards of this compound are not well-documented. Further research and testing may be required to determine its full range of applications and properties, ensuring that it can be used safely and effectively in various industries.

Upstream product

• 22094-18-4 1,3-dibromo-2,2-dimethoxypropane 
• 13195-64-7 diisopropyl malonate 
• 153214-82-5 2,2-dimethoxypropane-1,3-diol 

Downstream Products

• 23761-23-1 3-oxocyclobutanecarboxylic acid 
• 130369-33-4 (1-hydroxymethyl-3,3-dimethoxycyclobutyl)methanol 
• 305819-01-6 3,3-bis-hydroxymethyl-cyclobutanone 
• 305819-07-2 C₁₇H₂₂O₃S₃ 
• 305819-05-0 C₂₁H₂₄O₇S₂ 
• 305819-17-4 C₂₁H₂₆O₇S₂ 
• 305819-06-1 3-(1,3-dithiacyclohex-2-yl)-1,1-di(p-tosyloxymethyl)cyclobutane 
• 305819-03-8 C₄₀H₆₀O₅Si₂ 
• 305819-04-9 C₄₂H₄₄O₉S₂ 
• 893724-10-2 dipropan-2-yl 3-oxocyclobutane-1,1-dicarboxylate 
• 1640998-93-1 C₁₂H₁₉NO₃ 
• 1628783-91-4 methyl 2-oxo-3-azabicyclo[3.1.1]heptane-1-carboxylate 
• 1087784-78-8 tert-butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate 
• 1000931-22-5 3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid 

Relevant articles and documents

Elucidating the Origin of diastereoselectivity in a self-replicating system: Selfishness versus altruism

We have investigated a diastereoselective self-replicating system based on a cycloaddition of a fulvene derivative and a maleimide using a two-pronged approach of combining NMR spectroscopy with computational modelling. Two diastereomers are formed with identical rates in the absence of replication. When replication is enabled, one diastereomer takes over the resources as a "selfish" autocatalyst, while exploiting the competitor as a weak "altruist", resulting in a diastereoselectivity of 16:1. We applied 1D and 2D NMR spectroscopic techniques supported by ab initio chemical shifts as well as ab initio molecular dynamics simulations to study the structure and dynamics of the underlying network. This powerful combination allowed us to decipher the energetic and structural rationale behind the observed behaviour, while static computational methods currently used in the field did not.

Trifluoromethyl-substituted analogues of 1-aminocyclobutane-1-carboxylic acid

Trifluoromethyl-substituted analogues of the 1-amino-cyclobutane-1- carboxylic acid - 1-amino-3-(trifluoromethyl) cyclobutanecarboxylic and 1-amino-3,3-bis(trifluoromethyl)cyclobutane-carboxylic acids - have been synthesized from 1,3-dibromoacetone dimethyl ketal. The key step of the syntheses is a transformation of the acid moiety into the trifluoromethyl group using SF4 and HF. Georg Thieme Verlag Stuttgart.

Preparation method 3 - oxocyclobutane-based carboxylic acid

The invention discloses a preparation method of 3 -oxocyclobutane-based carboxylic acid, and belongs to the technical field of synthesis of medical intermediates. The ketone is protected from 1, 3 -dihydroxyacetone by condensation with trimethyl orthoformate to give 2, 2 -dimethoxy -1, 3 -propanediol, followed by reaction with malonate to give 3, 3 -dimethylcyclobutyl -1, 1 -dicarboxylic acid diester, followed by hydrolysis under acidic conditions. Decarboxylation and deprotection to yield 3 -oxocyclobutane-based carboxylic acids. The method has the advantages of high yield, common and easily available raw materials, simple flow and industrial amplification prospect.

Preparation method of intermediate for synthesizing 3 -oxo -1 -cyclobutane carboxylic acid

The invention discloses a preparation method for synthesizing 3 -oxo -1 -cyclobutane carboxylic acid intermediate 1, 1 - bis (prop -2 -) 3, 3 -dimethoxycyclobutane -1 and 1 - dicarboxylic acid ester (compound I): using potassium isopropoxide as a base, 1 1 -1 as a solvent, and plays an important role in the yield and purity method of 3 the 3 - final product, DMAc which is prepared 1 - or -2 - I

Preparation method of 3-(benzyloxy)-1-cyclobutanone

The invention relates to the technical field of organic synthesis, and specifically relates to synthesis of a medical intermediate 3-(benzyloxy)-1-cyclobutanone, according to the invention, 3-dibromo-2,3-dibromo-2,3,3-tetramethylpiperidine and diisopropyl malonate are used as initial raw materials; firstly, cyclobutane (I) is obtained through a nucleophilic substitution reaction; deprotection andhydrolysis are carried out on a compound (I) under the action of an acid to obtain 3-oxocyclobutanecarboxylic acid (II), the compound (II) is converted into a carboxylic acid silver salt, a Hunsdiecker reaction is carried out on the carboxylic acid silver salt and elemental bromine to obtain alkyl bromide (III), and a nucleophilic substitution reaction is performed on the compound (III) and benzylalcohol to obtain 3-(benzyloxy)-1-cyclobutanone (IV). The method provides a simple industrial production route for 3-(benzyloxy)-1-cyclobutanone, and has the advantages of simple reaction operation,mild reaction conditions and low cost.

Intramolecular functional group differentiation as a strategy for the synthesis of bridged bicyclic β-amino acids

Differentiation of identical electrophilic functional groups (carboxylates) by a strategically placed internal nucleophile (an amino group) in cyclic precursors was used as a key general approach to functionalized azabicyclic scaffolds. The utility of the method was demonstrated by the synthesis of three bicyclic β-amino acids (analogues of nipecotic acid), which were prepared in good yields and on a relatively large scale.

SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE

Compounds having a structure of Formula (IX) or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof, wherein R1, R2a, R2b, R3a, R3b, R4a, R4b, Q1----Q2, R6, R7, A, B, W, x, and y are as defined herein and are provided. Pharmaceutical compositions comprising such compounds and methods for treating various HAT-related conditions or diseases, including cancer, by administration of such compounds are also provided.

Gram-scale synthesis of 3,5-methanonipecotic acid, a nonchiral bicyclic β-amino acid

A scalable synthesis was developed of 3,5-methanoni?pecotic acid (3-azabicyclo[3.1.1]heptane-1-carboxylic acid), a rare example of a conformationally constrained nonchiral β-amino acid, potentially useful in peptide engineering and peptidomimetic drug design. A retrosynthetic strategy based on disconnections exclusively within the symmetry planes of the target and the intermediate molecules was found to be useful and might deliver expedite syntheses in other similar cases. Georg Thieme Verlag Stuttgart New York.

ANTIBACTERIAL AGENTS

Antibacterial compounds of formula (I) are provided, as well as stereoisomers and pharmaceutically acceptable salts and esters thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of such compounds.

Synthesis of 2-azaspiro[3.3]heptane-derived amino acids: Ornitine and GABA analogues

Synthesis of 6-amino-2-azaspiro[3.3]heptane-6-carboxylic acid and 2-azaspiro[3.3]heptane-6-carboxylic acid was performed. Both four-membered rings in the spirocyclic scaffold were constructed by subsequent ring closure of corresponding 1,3-bis-electrophil