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
• Article Data: 18

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

General Description

Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate is a chemical compound that belongs to the class of dicarboxylate esters. It is composed of diisopropyl, 3,3-dimethoxy, and cyclobutane-1,1-dicarboxylate groups. Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate is commonly used in organic synthesis and pharmaceutical research due to its unique structural properties. It can be used as a building block for the synthesis of various organic compounds, and its cyclobutane ring can potentially exhibit interesting biological activities. However, the safety and potential hazards of this compound are not well-documented, and further research and testing may be required to determine its full range of applications and properties.

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

• 1023815-74-8 (3,3-dimethoxycyclobutane-1,1-diyl)bis(methylene) bis(4-methylbenzenesulfonate) 
• 1225532-86-4 1-amino-3,3-difluorocyclobutane-1-carboxylic acid 
• 1225532-89-7 diisopropyl 3,3-difluorocyclobutane-1,1-dicarboxylate 
• 1000931-22-5 3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.1]heptane-1-carboxylic acid 
• 1087784-78-8 tert-butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate 
• 1628783-91-4 methyl 2-oxo-3-azabicyclo[3.1.1]heptane-1-carboxylate 
• 1640998-93-1 C₁₂H₁₉NO₃ 
• 893724-10-2 dipropan-2-yl 3-oxocyclobutane-1,1-dicarboxylate 
• 305819-04-9 C₄₂H₄₄O₉S₂ 
• 305819-03-8 C₄₀H₆₀O₅Si₂ 
• 305819-06-1 3-(1,3-dithiacyclohex-2-yl)-1,1-di(p-tosyloxymethyl)cyclobutane 
• 305819-17-4 C₂₁H₂₆O₇S₂ 
• 305819-05-0 C₂₁H₂₄O₇S₂ 
• 305819-07-2 C₁₇H₂₂O₃S₃ 

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.

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 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.

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.