676371-64-5

Basic information

• Product Name: Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[[(1,1-diMethylethoxy)carbonyl]aMino]-, Methyl ester
• Synonyms: Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[[(1,1-diMethylethoxy)carbonyl]aMino]-, Methyl ester;3-(Boc-aMino)-bicyclo[1.1.1]pentane-1-carboxylic acid, Methyl ester;Methyl 3-(tert-butoxycarbonylamino)bicyclo[1.1.1]pentane-1-carboxylate;Methyl 3-(Boc-amino)-bicyclo[1.1.1]pentane-1-carboxylate;Methyl 3-([(Tert-Butoxy)Carbonyl]Amino)Bicyclo[1.1.1]Pentane-1-Carboxylate(WX120630)
• CAS NO: 676371-64-5
• Molecular Formula: C₁₂H₁₉NO₄
• Molecular Weight: 241.28356
• EINECS: -0
• Mol File: 676371-64-5.mol
• Article Data: 13

Chemical Properties

• Melting Point: 123 °C
• Boiling Point: 317.2±41.0 °C(Predicted)
• Appearance: /
• Density: 1.17±0.1 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 12.04±0.40(Predicted)
• CAS DataBase Reference: Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[[(1,1-diMethylethoxy)carbonyl]aMino]-, Methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[[(1,1-diMethylethoxy)carbonyl]aMino]-, Methyl ester(676371-64-5)
• EPA Substance Registry System: Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[[(1,1-diMethylethoxy)carbonyl]aMino]-, Methyl ester(676371-64-5)

Safety Data

• Hazardous Substances Data: 676371-64-5(Hazardous Substances Data)

Usage

General Description

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[[(1,1-diMethylethoxy)carbonyl]aMino]-, Methyl ester is a chemical compound that is used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients. It is a methyl ester derivative of a bicyclic carboxylic acid, and its structure contains a carbamoyl and diMethylethoxy functional groups. Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[[(1,1-diMethylethoxy)carbonyl]aMino]-, Methyl ester may have potential applications in drug development due to its unique structural properties and functional groups, which could be exploited for their biological activities. Overall, it is a versatile chemical with potential utility in pharmaceutical research and development.

Upstream product

• 1172097-47-0 3-aminobicyclo[1.1.1]pentane-1-carboxylic acid hydrochloride 
• 24424-99-5 di-tert-butyl dicarbonate 
• 56842-95-6 bicyclo<1.1.1>pentane-1,3-dicarboxylic acid 
• 115913-30-9 1,1′-(bicyclo[1.1.1]pentane-1,3-diyl)bis(ethan-1-one) 
• 115913-32-1 dimethyl bicyclo<1.1.1>pentane-1,3-dicarboxylate 
• 67-56-1 methanol 
• 303752-38-7 3-((tert-butoxycarbonyl)amino)bicyclo[1.1.1]pentane-1-carboxylic acid 
• 83249-09-6 methyl 3-phenylbicyclo<1.1.1>pentane-1-carboxylate 
• 83249-10-9 3‐(methoxycarbonyl)bicyclo[1.1.1]pentane‐1‐carboxylic acid 
• 75-65-0 tert-butyl alcohol 

Downstream Products

• 1638767-25-5 tert-butyl N-(1-amino-3-bicyclo[1.1.1]pentanyl)carbamate 
• 1638771-06-8 tert-butyl (3-formyl bicyclo[1.1.1]pentan-1-yl)carbamate 

Relevant articles and documents

Large-Scale Synthesis and Modifications of Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acid (BCP)

In flow photochemical addition of propellane to diacetyl allowed construction of the bicyclo[1.1.1]pentane (BCP) core in a 1 kg scale within 1 day. Haloform reaction of the formed diketone in batch afforded bicyclo[1.1.1]pentane-1,3-dicarboxylic acid in a

Photochemical Formal (4 + 2)-Cycloaddition of Imine-Substituted Bicyclo[1.1.1]pentanes and Alkenes

Amines containing bridged bicyclic carbon skeletons are desirable building blocks for medicinal chemistry. Herein, we report the conversion of bicyclo[1.1.1]pentan-1-amines to a wide range of polysubstituted bicyclo[3.1.1]heptan-1-amines through a photochemical, formal (4 + 2)-cycloaddition of an intermediate imine diradical. To our knowledge, this is the first reported method to convert the bicyclo[1.1.1]pentane skeleton to the bicyclo[3.1.1]heptane skeleton. Hydrolysis of the imine products gives complex, sp3-rich primary amine building blocks.

PYRIMIDINE DERIVATIVES

The invention provides new pyrimidine compounds having the general formula (I), wherein R1, R2, R3, n, and X are as described herein, compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds.