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DI-T-BUTYL 4-[2-(T-BUTOXYCARBONYL)ETHYL]-4-NITROHEPTANEDICARBOXYLATE, also known as TBNE, is a chemical compound that belongs to the category of di-tert-butyl esters. It is characterized by its ability to be used in the synthesis of complex molecules and in the production of pharmaceuticals, agrochemicals, and materials. TBNE is a versatile and important chemical compound with a wide range of uses in the industry, particularly in the field of organic chemistry, where it is employed for the protection of functional groups and in the preparation of various building blocks for organic synthesis.

136587-00-3

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136587-00-3 Usage

Uses

Used in Pharmaceutical Industry:
TBNE is used as a key intermediate in the synthesis of pharmaceuticals for its ability to protect functional groups and facilitate the creation of complex molecular structures. Its versatility in organic synthesis allows for the development of new and innovative drug candidates.
Used in Agrochemical Industry:
In the agrochemical sector, TBNE is utilized as a component in the production of various agrochemicals, contributing to the development of effective and targeted pest control solutions.
Used in Materials Science:
TBNE is employed in the field of materials science for the synthesis of advanced materials with specific properties, such as high thermal stability or unique mechanical characteristics, which can be applied in various industrial applications.
Used in Organic Chemistry Research:
As a versatile building block, TBNE is used in organic chemistry research to explore new synthetic pathways and develop novel compounds with potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 136587-00-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,6,5,8 and 7 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 136587-00:
(8*1)+(7*3)+(6*6)+(5*5)+(4*8)+(3*7)+(2*0)+(1*0)=143
143 % 10 = 3
So 136587-00-3 is a valid CAS Registry Number.
InChI:InChI=1/C22H39NO8/c1-19(2,3)29-16(24)10-13-22(23(27)28,14-11-17(25)30-20(4,5)6)15-12-18(26)31-21(7,8)9/h10-15H2,1-9H3

136587-00-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name tritert-butyl 4-nitro-4-propylhexane-1,1,6-tricarboxylate

1.2 Other means of identification

Product number -
Other names tri-tert-butyl 3,3',3''-(1-nitromethanetriyl)tripropanoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:136587-00-3 SDS

136587-00-3Relevant academic research and scientific papers

Multifunctional degradable nanoparticles with control over size and functionalities

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Page/Page column 128, (2018/02/03)

In one aspect, the invention relates to polymers, crosslinked polymers, functionalized polymers, nanoparticles, and functionalized nanoparticles and methods of making and using same. In one aspect, the invention relates to degradable polymers and degradable nanoparticles. In one aspect, the invention relates to methods of preparing degradable nanoparticles and, more specifically, methods of controlling particle size during the preparation of degradable nanoparticles. In one aspect, the degradable nanoparticles are useful for complexing, delivering, and releasing payloads, including pharmaceutically active payloads. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

Platform Synthetic Lectins for Divalent Carbohydrate Recognition in Water

Carter, Tom S.,Mooibroek, Tiddo J.,Stewart, Patrick F. N.,Crump, Matthew P.,Galan, M. Carmen,Davis, Anthony P.

supporting information, p. 9311 - 9315 (2016/08/05)

Biomimetic carbohydrate receptors (“synthetic lectins”) have potential as agents for biological research and medicine. However, although effective strategies are available for “all-equatorial” carbohydrates (glucose, etc.), the recognition of other types of saccharide under natural (aqueous) conditions is less well developed. Herein we report a new approach based on a pyrene platform with polar arches extending from aryl substituents. The receptors are compatible with axially substituted carbohydrates, and also feature two identical binding sites, thus mimicking the multivalency observed for natural lectins. A variant with negative charges forms 1:2 host/guest complexes with aminosugars, with K1>3000 m?1for axially substituted mannosamine, whereas a positively charged version binds the important α-sialyl unit with K1≈1300 m?1.

SUGAR-LINKER-DRUG CONJUGATES

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Paragraph 0313, (2014/09/29)

The present disclosure relates to sugar-linker-drug conjugates, of the formula [A-B-]n-L-D, wherein A is a saccharide; B is a spacer, n is an integer selected from 1 to 3; L is a linker group and D is a drug having a chemically reactive functional group selected from the group consisting of a primary or secondary amine, hydroxyl, sulfhydryl, carboxyl, aldehyde and ketone. Pharmaceutical compositions comprising the conjugates and methods of using thern are also provided.

SACCHARIDE CONJUGATES

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Paragraph 0301; 0311, (2014/10/04)

This invention relates to compounds comprising a saccharide conjugated to an imaging agent or a reporter group, compositions comprising them and methods of using them. Specifically BLM-disaccharide and BLM-monosaccharide conjugates containing different linker groups and an imaging agent or a reporter group are provided for the targeting and imaging of tumors.

CONJUGATES AND THEIR USES IN MOLECULAR IMAGING

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Paragraph 0124, (2014/03/24)

The present invention relates to bifunctional compounds, the bifunctional compounds for use in molecular imaging and therapy, methods of molecular imaging using the bifunctional compounds and kits including the bifunctional compounds for use molecular imaging. The bifunctional compounds have a tripodal hydroxypyridinone chelating portion and may be conjugated to a targeting group so that the compounds target specific cells or tissues in a subject.

Efficient bifunctional gallium-68 chelators for positron emission tomography: Tris(hydroxypyridinone) ligands

Berry, David J.,Ma, Yongmin,Ballinger, James R.,Tavare, Richard,Koers, Alexander,Sunassee, Kavitha,Zhou, Tao,Nawaz, Saima,Mullen, Gregory E. D.,Hider, Robert C.,Blower, Philip J.

supporting information; experimental part, p. 7068 - 7070 (2011/08/22)

A new tripodal tris(hydroxypyridinone) bifunctional chelator for gallium allows easy production of 68Ga-labelled proteins rapidly under mild conditions in high yields at exceptionally high specific activity and low concentration.

DENDRITIC MOLECULAR INTRACELLULAR TRANSPORTERS AND METHODS OF MAKING AND USING SAME

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Page/Page column 83, (2010/11/30)

In accordance with the purpose(s) of the invention, as embodied and broadly described herein, the invention, in one aspect, relates to compounds comprising the structure: and at least one guanidinium residue, wherein m is zero or a positive integer. Also disclosed are methods of preparing the disclosed compounds. Also disclosed are methods of intracellular delivery comprising administering the disclosed compounds and compositions to a subject. Also disclosed are pharmaceutical compositions comprising a therapeutically effective amount of one or more compounds or compositions of the invention and a pharmaceutically acceptable carrier. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

SUGAR CHAIN LIGAND COMPOSITE AND METHOD OF ANALYZING PROTEIN WITH THE LIGAND COMPOSITE

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Page/Page column 18, (2010/11/24)

A novel ligand conjugate which is effectively utilizable for analyzing a function of a protein; a ligand-supporting object; and a method of analyzing a protein. The ligand conjugate has a structure which comprises: a linker compound having a structure represented by the following General Formula (1): (wherein n and p each is an integer of 0 to 6) in which X is a structure comprising one, two, or three hydrocarbon derivative chains which have an aromatic amino group at the end and may have a carbon-nitrogen bond in the main chain, Y is a hydro-carbon structure containing one or more sulfur atoms, and Z is a straight-chain structure comprising a carbon-carbon bond or carbon-oxygen bond; and a sugar which has a reducing end and is bonded to the linker compound through the aromatic amino group.

Synthesis, characterization and computational modeling of cyclen substituted with dendrimeric branches. Dendrimeric and macrocyclic moieties working together in a collective fashion

Cruz-Morales, Jorge A.,Guadarrama, Patricia

, p. 1 - 10 (2007/10/03)

A molecular system, formed by the aza-macrocycle known as cyclen and functionalized dendrons, was synthesized in a convergent fashion. An aliphatic spacer between the two molecular units was incorporated to avoid the sterical hindrances. The N-acylation reactions to carry out the cyclen substitution, particularly those in solid state, resulted in very good yields since no further purifications were necessary. The obtained molecular system was characterized by common spectroscopic techniques. According to X-ray analysis (powder analysis), there is a random arrangement of the molecules, with an average interplanar distance (the most recurrent) of 4.8 ? between first neighbors. A theoretical study at DFT level of theory was carried out, simulating the inclusion process of Ni2+ into two different model molecules (A and C), with and without dendrons present. According to the calculated interaction energies in the inclusion process, there is a significant contribution in terms of energy (-60.89 Kcal/mol) due to the presence of functionalized dendrons, which enfold the metal ion, forming a molecular cage and increasing in this way the degree of pre-organization due to cooperative effects created by the dendrimeric environment. These molecular arrangements would be relevant in areas like catalysis, having influence on the selectivity of catalytic processes, by controlling the accessibility of the active site (the metal atom) via sterical hindrances. Further experimental work of the incorporation of metal ions of the first transition series will be done in a rational way, taking into account the theoretical results obtained so far.

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