http://rdf.ncbi.nlm.nih.gov/pubchem/patent/ES-2551725-T3

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filingDate 2011-11-17-04:00^^<http://www.w3.org/2001/XMLSchema#date>
grantDate 2015-11-23-04:00^^<http://www.w3.org/2001/XMLSchema#date>
inventor http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_688c0aaa4867375e302556c30847f242
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_158d0565882eea8cd8373078523eaac2
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publicationDate 2015-11-23-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber ES-2551725-T3
titleOfInvention Photochromic compounds and compositions
abstract A compound represented by the following graphic formula I: ** Formula ** wherein: A 'is selected from optionally substituted heteroaryl and optionally substituted aryl, wherein A' is optionally substituted with L2; R1 and R2 are each independently selected from hydrogen, hydroxy, and chiral or achiral groups selected from optionally substituted heteroalkyl, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl, optionally substituted aryl, optionally substituted heteroaryl, optionally substituted cycloalkyl, optionally substituted heterocycloalkyl , halogen, optionally substituted amino, carboxy, alkylcarbonyl, alkoxycarbonyl, optionally substituted alkoxy, and aminocarbonyl, or R1 and R2 can be taken together with any intermediate atom to form a group selected from oxo, optionally substituted cycloalkyl, and optionally substituted heterocycloalkyl; and R3 for each occurrence is independently selected from chiral or achiral groups selected from formyl, alkylcarbonyl, alkoxycarbonyl, aminocarbonyl, arylcarbonyl, aryloxycarbonyl, aminocarbonyloxy, alkoxycarbonylamino, aryloxycarbonylamino, boronic acid, boronic acid esters, optionally substituted cycloalkoxycarbonylamino, heterocyclocarbonyloxycarbonylamino, substituted alkylcarbonyloxy , optionally substituted alkenyl, optionally substituted alkynyl, halogen, optionally substituted cycloalkyl, optionally substituted aryl, optionally substituted heteroaryl, optionally substituted alkoxy, optionally substituted heteroalkyl, optionally substituted heterocycloalkyl, and optionally substituted amino; m is an integer selected from 0 to 3; B and B 'are each independently selected from L3, hydrogen, halogen, and chiral or achiral groups selected from metallocenyl, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl, optionally substituted heteroalkyl, optionally substituted alkoxy, optionally substituted aryl, optionally heteroaryl substituted, optionally substituted heterocycloalkyl, and optionally substituted cycloalkyl, or wherein B and B 'are taken together with any intermediate atom to form a group selected from optionally substituted cycloalkyl and optionally substituted heterocycloalkyl; and L1, L2 and L3 for each occurrence are independently selected from a chiral or achiral elongation group represented by: - [S1] c- [Q1- [S2] d] d '- [Q2- [S3] e] e' - [Q3-S4] f] f'-S5-P wherein: (a) Q1, Q2 and Q3 for each occurrence are independently selected from a divalent group selected from optionally substituted aryl, optionally substituted heteroaryl, optionally substituted cycloalkyl and optionally substituted heterocycloalkyl; wherein the substituents are independently selected from P, liquid crystal mesogens, halogen, poly (C1-C18 alkoxy), C1-C18 alkoxy-carbonyl, C1-C18 alkylcarbonyl, C1-C18 alkoxycarbonyloxy, aryloxycarbonyloxy, perfluoroalkoxy ( C1-C18), perfluoroalkoxy (C1-C18) -carbonyl, perfluoroalkyl (C1-C18) -carbonyl, perfluoroalkyl (C1-C18) -amino, di- (perfluoroalkyl (C1-C18)) amino, perfluoroalkylthio (C1-C18) , C1-C18 alkylthio, C1-C18 acetyl, C3-C10 cycloalkyl, C3-C10 cycloalkoxy, straight chain C1-C18 alkyl and branched C1-C18 alkyl; wherein said straight chain C1-C18 alkyl and branched C1-C18 alkyl are mono-substituted with a group selected from cyano, halogen and C1-C18 alkoxy; or wherein said straight chain C1-C18 alkyl and branched C1-C18 alkyl are poly-substituted with at least two groups independently selected from halogen, -M (T) (t-1) and -M (OT) (t- 1), where M is selected from aluminum, antimony, tantalum, titanium, zirconium, and silicon, T is selected from organofunctional radicals, organofunctional hydrocarbon radicals, aliphatic hydrocarbon radicals, and aromatic hydrocarbon radicals, and t is the valence of M; (b) c, d, e, and f are each independently chosen from an integer from 1 to 20; and each S1, S2, S3, S4 and S5 are independently chosen for each occurrence of a spacer unit selected from: (i) optionally substituted alkylene, optionally substituted haloalkylene, -Si (CH2) g- and - (Si [(CH3 ) 2] O) h-, where g for each occurrence is independently chosen from an integer from 1 to 20; h for each occurrence is independently chosen from an integer from 1 to 16; and said substitutes for alkylene and haloalkylene are independently selected from C1-C18 alkyl, C3-C10 cycloalkyl and aryl; (ii) -N (Z) -, -C (Z)> = C (Z) -, -C (Z)> = N-, -C (Z ') 2-C (Z') 2- and a single bond, wherein Z for each occurrence is independently selected from hydrogen, C1-C18 alkyl, C3-C10 cycloalkyl, and aryl, and Z 'for each occurrence is independently selected from C1-C18 alkyl, C3-C10 cycloalkyl, and aryl; and (iii) -O-, -C (> = O) -, -C≡C-, -N> = N-, -S-, -S (> = O) -, - (O> =) S (> = O) -, - (O> =) S (> = O) O-, -O (O> =) S (> = O) O- and straight or branched chain C1-C24 alkylene residue, said C1-C24 alkyl residue being unsubstituted, mono-substituted with cyano or halogen, or poly-substituted with halogen, provided that when two spacer units comprising heteroatoms are linked together, the spacer units are linked in a that the heteroatoms are not directly linked to each other, each bond between S1 and the compound represented by graphic formula I is free of two heteroatoms linked together, and the bond between S5 and P is free of two heteroatoms linked to each other; (c) P for each occurrence is independently selected from hydroxy, amino, C2-C18 alkenyl, C2-C18 alkynyl, azido, silyl, siloxy, silyl hydride, (tetrahydro-2H-pyran-2-yl) oxy, thio, isocyanate, thioisocyanate, acryloyloxy, methacryloyloxy, 2- (acryloyloxy) ethylcarbamyl, 2- (methacryloyloxy) ethylcarbamyl, aziridinyl, allyloxycarbonyloxy, epoxy, carboxylic acid, carboxylic ester, acryloylamino, methacryloylamino-C 1, aminocarbonylamino (methacryloylamino-C 1, aminocarbonylamino (methacryloylamino-C1, aminocarbonylamino) -C18), C1-C18 alkyloxy-carbonyloxy, halocarbonyl, hydrogen, aryl, hydroxyalkyl (C1-C18), C1-C18 alkyl, C1-C18 alkoxy, amino (C1-C18) alkyl, C1-C18 alkyl-amino, di- (C1-C18) alkyl-amino, C1-C18 alkyl (C1-C18) alkoxy, C1-C18 alkoxy-C1-C18 alkoxy, nitro, (C1-C18) polyalkyl ether, (C1-C18) alkyl - (C1-C18) alkoxy (C1-C18) alkyl, polyethyleneoxy, polypropylenexy, ethylene, acryloyl, acryloyloxyalkyl (C1-C18), methacryloyl, methacryloyloxyalkyl (C1-C18), 2-chloroacryloyl, 2- phenylacryloyl lo, acryloyloxyphenyl, 2-chloro-acryloylamino, 2-phenylacryloylaminocarbonyl, oxetanyl, glycidyl, cyano, isocyanatoalkyl (C1-C18), itaconic acid ester, vinyl ether, vinyl ester, a styrene derivative, main chain liquid crystal polymers and side chain, siloxane derivatives, ethyleneimine derivatives, maleic acid derivatives, maleimide derivatives, fumaric acid derivatives, unsubstituted cinnamic acid derivatives, cinnamic acid derivatives that are substituted with at least one methyl, methoxy, cyano and halogen, and chiral or non-chiral substituted or unsubstituted monovalent or divalent groups chosen from steroid radicals, terpenoid radicals, alkaloid radicals and mixtures thereof, wherein the substituents are independently chosen from C1-C18 alkyl, C1-C18 alkoxy , amino, C3-C10 cycloalkyl, C1-C18 alkyl (C1-C18) alkoxy, (C1-C18) fluoroalkyl, cyano, (C1-C18) cyanoalkyl, (C1-C18) cyanoalkoxy or mixtures thereof , or P is a structure having 2 to 4 reactive groups, or P is an unsubstituted or substituted ring-opening metathesis polymerization precursor, or P is a substituted or unsubstituted photochromic compound; and (d) d ', e' and f 'are each independently chosen from 0, 1, 2, 3, and 4, provided that a sum of d' + e '+ f' is at least 2.
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http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID425389872
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419539241
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID67228214
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID14917
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID416191707
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID424434253
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID251329
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID7477
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID123042
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID412129571
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID423910579
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID137747
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419525385
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID457814461
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID2734624
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID87316727
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID73998867
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID407404556
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419559463
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID416641266
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419575538
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID58299256
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID61078

Total number of triples: 568.