Ethyl 6-[(2-Cyanoethoxy)(4,4-diphenylcyclohexyloxy)phosphoryloxy]hexanoate TCI E1313

Chemical Identity

Other names: 6-[(2-Cyanoethoxy)(4,4-diphenylcyclohexyloxy)phosphoryloxy]hexanoic Acid Ethyl Ester
CAS No.: 572913-59-8
PubChem: CID 101734305·SID 354335211
Formula: C29H38NO6P
Molecular weight: 527.60 g/mol
Purity: >95.0%(HPLC)
Storage: 0-10°C

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: ethyl 6-[2-cyanoethoxy-(4,4-diphenylcyclohexyl)oxyphosphoryl]oxyhexanoate
SMILES: CCOC(=O)CCCCCOP(=O)(OCCC#N)OC1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChIKey: GVQOELYSOIYIGR-UHFFFAOYSA-N

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Ethyl 6-[(2-Cyanoethoxy)(4,4-diphenylcyclohexyloxy)phosphoryloxy]hexanoate is a complex chemical compound widely used in synthetic reactions within laboratory settings. As a building block, it serves as a foundational material for the synthesis of more complex organic compounds. This compound is particularly valuable in organic chemistry research due to its unique molecular structure, which includes phosphorus and cyclohexyl groups. Its versatility makes it an essential tool for researchers aiming to develop new chemical structures with specific functional properties.

The compound's reactivity and molecular complexity make it a preferred choice in synthetic chemistry. Its phosphorus-containing functional group allows for a range of chemical transformations, including substitution, coupling, and hydrolysis reactions. The presence of both cyclohexyl and alkyl chains enhances its utility in creating diverse molecular architectures. These characteristics enable chemists to explore various synthetic pathways, making it a reliable and effective reagent for advanced chemical synthesis.

In Indonesian laboratories, this compound is commonly used in organic chemistry and pharmaceutical research. Researchers rely on its structural versatility to design and synthesize new compounds with potential applications in medicine and industry. Its role in developing novel chemical entities underscores its importance in both academic and industrial research environments. The compound's reactivity and structural adaptability make it a valuable asset in laboratories focused on innovation and discovery.

Advantages (TCI brochure)

Diphenylcyclohexane derivative for albumin binding

TCI brochures (PDF)

Human-Serum-Albumin Binding Agents for Improvement of Pharmacokinetics 2019-02-22 · p. 2

Related TCI products

Organic synthesis applications benefit from this compound's reactivity and structural versatility, enabling the creation of complex molecules with tailored properties.
Pharmaceutical research utilizes its phosphorus and cyclohexyl groups to develop new drug candidates with enhanced bioavailability and therapeutic potential.
Chemical modification studies leverage its functional groups to explore new synthetic pathways and reaction mechanisms in laboratory settings.
Material science applications take advantage of its molecular structure to design advanced polymers and functional materials with specific chemical properties.
Analytical chemistry experiments use it as a reference standard for testing and validating new analytical methods and instrumentation.

From the TCI brochure

Albumin-binding tag; brochure cites phosphate ester albumin-affinity tag literature

Brand	TCI
CAS number	572913-59-8
Molecular formula	—
Purity	—
Category	Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes	Available in various quantities as per standard laboratory supply
Physical form	Solid or liquid, depending on the specific formulation
Storage	Store in a cool, dry place away from direct sunlight and moisture

This compound should be stored in a cool, dry environment to maintain its chemical integrity. It is recommended to keep it in airtight containers to prevent exposure to moisture and air, which could lead to degradation. Due to its reactivity, it should be handled with appropriate personal protective equipment such as gloves and safety goggles. In laboratory settings, it should be stored away from incompatible substances to ensure safety. Regular monitoring of storage conditions is advised to maintain optimal stability and performance. Proper labeling and secure storage are essential to prevent accidental exposure and ensure safe handling.

References cited in the TCI brochure

R B Lauffer. MS-325: albumin-targeted contrast agent for MR angiography. Radiology, 1998. doi:10.1148/radiology.207.2.9577506
Thomas J. McMurry. The Effect of a Phosphodiester Linking Group on Albumin Binding, Blood Half-Life, and Relaxivity of Intravascular Diethylenetriaminepentaacetato Aquo Gadolinium(III) MRI Contrast Agents Journal of Medicinal Chemistry, 2002. doi:10.1021/jm0102351
Kerry Zobel. Phosphate ester serum albumin affinity tags greatly improve peptide half-life in vivo Bioorganic & Medicinal Chemistry Letters, 2003. doi:10.1016/s0960-894x(03)00209-9
Yijun Huang. Conjugation to Albumin‐Binding Molecule Tags as a Strategy to Improve Both Efficacy and Pharmacokinetic Properties of the Complement Inhibitor Compstatin ChemMedChem, 2014. doi:10.1002/cmdc.201402212