Cas no 69032-13-9 (dibenzyl imidodicarbonate)
dibenzyl imidodicarbonate Chemical and Physical Properties
Names and Identifiers
-
- dibenzyl imidodicarbonate
- Imidodicarbonic acid, 1,3-bis(phenylmethyl) ester
- LogP
- Bis(benzyloxycarbonyl)amine
- Y13487
- MFCD16875502
- AJVZWZNNWXSTNK-UHFFFAOYSA-N
- Benzyl N-phenylmethoxycarbonylcarbamate
- SCHEMBL234454
- 69032-13-9
- AKOS032961424
-
- MDL: MFCD16875502
- Inchi: 1S/C16H15NO4/c18-15(20-11-13-7-3-1-4-8-13)17-16(19)21-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18,19)
- InChI Key: AJVZWZNNWXSTNK-UHFFFAOYSA-N
- SMILES: O(C(NC(=O)OCC1C=CC=CC=1)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 285.10015
- Monoisotopic Mass: 285.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- Density: 1.231±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 110.5-111 oC
- Solubility: Almost insoluble (0.063 g/l) (25 o C),
- PSA: 64.63
dibenzyl imidodicarbonate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | Y0994804-1g |
Bis(benzyloxycarbonyl)amine |
69032-13-9 | 95% | 1g |
$755 | 2024-08-02 | |
| 1PlusChem | 1P00FHVB-100mg |
Bis(benzyloxycarbonyl)amine |
69032-13-9 | 95% | 100mg |
$143.00 | 2023-12-16 | |
| 1PlusChem | 1P00FHVB-250mg |
Bis(benzyloxycarbonyl)amine |
69032-13-9 | 95% | 250mg |
$240.00 | 2023-12-16 | |
| 1PlusChem | 1P00FHVB-1g |
Bis(benzyloxycarbonyl)amine |
69032-13-9 | 95% | 1g |
$594.00 | 2023-12-16 | |
| A2B Chem LLC | AH22199-100mg |
Bis(benzyloxycarbonyl)amine |
69032-13-9 | 95% | 100mg |
$122.00 | 2023-12-30 | |
| A2B Chem LLC | AH22199-250mg |
Bis(benzyloxycarbonyl)amine |
69032-13-9 | 95% | 250mg |
$209.00 | 2023-12-30 | |
| A2B Chem LLC | AH22199-1g |
Bis(benzyloxycarbonyl)amine |
69032-13-9 | 95% | 1g |
$512.00 | 2023-12-30 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1740842-1g |
bIs(benzyloxycarbonyl)amine |
69032-13-9 | 98% | 1g |
¥6778.00 | 2024-05-03 | |
| eNovation Chemicals LLC | Y0994804-1g |
bis(benzyloxycarbonyl)amine |
69032-13-9 | 95% | 1g |
$580 | 2025-03-01 | |
| abcr | AB577043-100mg |
Bis(benzyloxycarbonyl)amine; . |
69032-13-9 | 100mg |
€208.70 | 2025-04-17 |
dibenzyl imidodicarbonate Related Literature
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
Additional information on dibenzyl imidodicarbonate
Dibenzyl Imidodicarbonate (CAS No. 69032-13-9): A Versatile Chemical Intermediate in Modern Pharmaceutical Synthesis
Dibenzyl imidodicarbonate, a compound with the chemical formula C14H12O4 and a CAS number of 69032-13-9, is a significant intermediate in the field of organic synthesis, particularly in pharmaceutical applications. This compound has garnered considerable attention due to its utility in the preparation of various pharmacologically active molecules. The unique structural features of dibenzyl imidodicarbonate, including its imidodicarbonate functional group, make it a valuable building block for the synthesis of complex heterocyclic compounds.
The imidodicarbonate moiety in dibenzyl imidodicarbonate is particularly noteworthy for its reactivity and versatility. This functional group can undergo a variety of transformations, making it an indispensable tool in medicinal chemistry. One of the most notable reactions involving imidodicarbonates is their ability to act as acylating agents, facilitating the introduction of carbonyl groups into organic molecules. This property has been exploited in the synthesis of numerous drug candidates, where the introduction of acyl groups is often a critical step in the development of new therapeutic agents.
In recent years, dibenzyl imidodicarbonate has found applications in the synthesis of bioactive molecules with potential therapeutic value. For instance, researchers have utilized this compound to prepare derivatives that exhibit inhibitory activity against various enzymes and receptors. These derivatives have shown promise in preclinical studies as candidates for treating conditions such as inflammation, pain, and neurological disorders. The ability to modify the dibenzyl imidodicarbonate core structure allows for the exploration of diverse chemical space, enabling the discovery of novel pharmacophores with improved pharmacokinetic and pharmacodynamic properties.
The synthetic utility of dibenzyl imidodicarbonate extends beyond its role as an acylating agent. It can also serve as a precursor for more complex functionalized molecules through various chemical transformations. For example, hydrolysis of the imidodicarbonate group can yield corresponding dicarboxylic acids, which are important intermediates in peptide synthesis and other biologically relevant applications. Additionally, nucleophilic substitution reactions at the benzyl positions can introduce diverse substituents, further expanding the scope of possible derivatives.
Advances in synthetic methodologies have further enhanced the appeal of dibenzyl imidodicarbonate as a pharmaceutical intermediate. Modern techniques such as transition-metal-catalyzed cross-coupling reactions have enabled the efficient preparation of substituted dibenzyl imidodicarbonates, opening up new avenues for drug discovery. These methods have allowed chemists to access previously inaccessible molecular architectures with high precision and yield, thereby accelerating the development of novel therapeutic agents.
The growing interest in green chemistry has also influenced the use of dibenzyl imidodicarbonate in pharmaceutical synthesis. Efforts have been made to develop more sustainable synthetic routes that minimize waste and reduce environmental impact. For instance, catalytic methods that employ recyclable catalysts or renewable solvents have been explored to improve the ecological footprint of processes involving this compound. Such innovations align with broader industry trends aimed at promoting sustainable practices in chemical manufacturing.
Recent research has highlighted the potential of dibenzyl imidodicarbonate in medicinal chemistry through its incorporation into various drug-like scaffolds. By leveraging its reactivity and structural features, scientists have been able to design molecules with enhanced binding affinity and selectivity for biological targets. These efforts have led to several promising candidates that are currently undergoing further investigation in clinical trials. The continued exploration of dibenzyl imidodicarbonate derivatives underscores its importance as a versatile intermediate in modern drug discovery.
The future prospects for dibenzyl imidodicarbonate are promising, with ongoing research expected to uncover new applications and synthetic strategies. As computational methods advance, virtual screening and molecular modeling will play an increasingly significant role in identifying novel derivatives with desired biological properties. This integration of computational chemistry with traditional synthetic approaches will likely accelerate the development pipeline for next-generation pharmaceuticals.
In conclusion, dibenzyl imidodicarbonate (CAS No. 69032-13-9) is a multifaceted compound that serves as a crucial intermediate in pharmaceutical synthesis. Its unique structural features and reactivity make it an invaluable tool for medicinal chemists seeking to develop new therapeutic agents. With ongoing advancements in synthetic methodologies and green chemistry principles, the utility of this compound is expected to expand further, contributing to the continued progress in drug discovery and development.
69032-13-9 (dibenzyl imidodicarbonate) Related Products
- 10507-52-5(Carbamic acid, dimethyl-, phenylmethyl ester)
- 30379-59-0(Benzyl N-methy; carbamate)
- 67799-92-2(Carbamic acid, [(acetyloxy)methyl]-, phenylmethyl ester)
- 88413-58-5(Carbamic acid, (methoxymethyl)methyl-, phenylmethyl ester)
- 65935-09-3(Carbamic acid, ethyl-, phenylmethyl ester)
- 87143-20-2(1-Azaspiro[3.5]nonan-2-one, 1-[(2,2,2-trichloroethyl)sulfonyl]-)
- 84713-20-2(Benzyl vinylcarbamate)
- 621-84-1(Benzyl carbamate)
- 89075-63-8(Carbamic acid, ethyl(hydroxymethyl)-, phenylmethyl ester)
- 918132-66-8(Benzenemethanol, 4-amino-, 1-methanecarbamate)