Dehloran plus

Dehloran plus
Identifikacija
CAS broj	13560-89-9 ;
3D model (Jmol)	interaktivna slika;
ChemSpider	24323 ;
ECHA InfoCard	100.033.575
PubChem C ID	26111;
	SMILES ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl; ; ; ; ; ;
Svojstva
Hemijska formula	C18H12Cl12
Molarna masa	653,724
	Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje materijala (na 25 °C [77 °F], 100 kPa).
	Reference infokutije

Dehloran plus (skraćeno DDC-CO^[3]) jeste organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 653,724 Da. Dechlorane plus je polihlorinisani retardant plamena, koji proizvodi preduzeće Oxychem. Ovo jedinjenje se formira Dils-Alderovom reakcijom dva ekvivalenta heksahlorociklopentadiena sa jednim ekvivalentom ciklooktadiena. sin i anti izomeri se formiraju u približnom odnosu 1:3.^[4]^[5]

sin izomer
anti izomer

Osobine[уреди | уреди извор]

Osobina	Vrednost
Broj akceptora vodonika	0
Broj donora vodonika	0
Broj rotacionih veza	0
Particioni koeficijent^[6] (ALogP)	8,2
Rastvorljivost^[7] (logS, log(mol/L))	-14,5
Polarna površina^[8] (PSA, Å²)	0,0

Reference[уреди | уреди извор]

^ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today. 15 (23-24): 1052—7. PMID 20970519. doi:10.1016/j.drudis.2010.10.003. уреди
^ Evan E. Bolton; Yanli Wang; Paul A. Thiessen; Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry. 4: 217—241. doi:10.1016/S1574-1400(08)00012-1.
^ Bergman, Å.; Rydén, A.; Law, R. J.; De Boer, J.; Covaci, A.; Alaee, M.; Birnbaum, L.; Petreas, M.; Rose, M.; Sakai, S.; Van Den Eede, N.; Van Der Veen, I. (2012). „A novel abbreviation standard for organobromine, organochlorine and organophosphorus flame retardants and some characteristics of the chemicals”. Environment International. 49: 57. doi:10.1016/j.envint.2012.08.003.
^ Sverko, E.; Tomy, G. T.; Reiner, E. J.; Li, Y. F.; McCarry, B. E.; Arnot, J. A.; Law, R. J.; Hites, R. A. (2011). „Dechlorane Plus and Related Compounds in the Environment: A Review”. Environmental Science & Technology. 45 (12): 5088. doi:10.1021/es2003028.
^ Garcia, J. G.; Fronczek, F. R.; McLaughlin, M. L. (1991). „Tandem reverse-electron-demand diels-alder reactions of 1,5-cyclooctadiene”. Tetrahedron Letters. 32 (28): 3289. doi:10.1016/S0040-4039(00)92688-1.
^ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o. Архивирано из оригинала 22. 07. 2014. г. Приступљено 12. 06. 2016.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Literatura[уреди | уреди извор]

Clayden, Jonathan; Greeves, Nick; Warren, Stuart; Wothers, Peter (2001). Organic Chemistry (I изд.). Oxford University Press. ISBN 978-0-19-850346-0.
Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th изд.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
Katritzky A.R.; Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry (Second изд.). Academic Press. ISBN 0080429882.

Spoljašnje veze[уреди | уреди извор]

Dechlorane plus

[1] Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today. 15 (23-24): 1052—7. PMID 20970519. doi:10.1016/j.drudis.2010.10.003. уреди

[2] Evan E. Bolton; Yanli Wang; Paul A. Thiessen; Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry. 4: 217—241. doi:10.1016/S1574-1400(08)00012-1.

[3] Bergman, Å.; Rydén, A.; Law, R. J.; De Boer, J.; Covaci, A.; Alaee, M.; Birnbaum, L.; Petreas, M.; Rose, M.; Sakai, S.; Van Den Eede, N.; Van Der Veen, I. (2012). „A novel abbreviation standard for organobromine, organochlorine and organophosphorus flame retardants and some characteristics of the chemicals”. Environment International. 49: 57. doi:10.1016/j.envint.2012.08.003.

[4] Sverko, E.; Tomy, G. T.; Reiner, E. J.; Li, Y. F.; McCarry, B. E.; Arnot, J. A.; Law, R. J.; Hites, R. A. (2011). „Dechlorane Plus and Related Compounds in the Environment: A Review”. Environmental Science & Technology. 45 (12): 5088. doi:10.1021/es2003028.

[5] Garcia, J. G.; Fronczek, F. R.; McLaughlin, M. L. (1991). „Tandem reverse-electron-demand diels-alder reactions of 1,5-cyclooctadiene”. Tetrahedron Letters. 32 (28): 3289. doi:10.1016/S0040-4039(00)92688-1.

[6] Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o. Архивирано из оригинала 22. 07. 2014. г. Приступљено 12. 06. 2016.

[7] Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.

[8] Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

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