AG002KLL

210169-40-7 | Phosphine, 1,1'-(4S)-[4,4'-bi-1,3-benzodioxole]-5,5'-diylbis[1,1-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]-

AG002KLL

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CAS Number	210169-40-7
Catalog Number	AG002KLL(AGN-PC-0QX3CA)
Chemical Name	Phosphine, 1,1'-(4S)-[4,4'-bi-1,3-benzodioxole]-5,5'-diylbis[1,1-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]-
IUPAC Name	[4-[5-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane
InChI	InChI=1S/C74H100O8P2/c1-67(2,3)47-33-43(34-48(61(47)75-25)68(4,5)6)83(44-35-49(69(7,8)9)62(76-26)50(36-44)70(10,11)12)57-31-29-55-65(81-41-79-55)59(57)60-58(32-30-56-66(60)82-42-80-56)84(45-37-51(71(13,14)15)63(77-27)52(38-45)72(16,17)18)46-39-53(73(19,20)21)64(78-28)54(40-46)74(22,23)24/h29-40H,41-42H2,1-28H3
InChI Key	ZNORAFJUESSLTM-UHFFFAOYSA-N
MDL Number	MFCD09753003
Molecular Formula	C74H100O8P2
Molecular Weight	1179.5285
SMILES	O(C=1C(=CC(=CC1C(C)(C)C)P(C=2C=C(C(OC)=C(C2)C(C)(C)C)C(C)(C)C)C3=CC=C4OCOC4=C3C=5C=6OCOC6C=CC5P(C=7C=C(C(OC)=C(C7)C(C)(C)C)C(C)(C)C)C=8C=C(C(OC)=C(C8)C(C)(C)C)C(C)(C)C)C(C)(C)C)C
Synonyms	(S)-DTBM-SEGPHOS, (R)-DTBM-SEGPHOS, 210169-40-7, 566940-03-2, (S)-(+)-5,5'-Bis[di(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4'-bi-1,3-benzodioxole, MFCD09753003, 5,5'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphanyl)-4,4'-bibenzo[d][1,3]dioxole, dtbm-segphos, SCHEMBL28341, (R)-DTBM-SEGPHOS®, (S)-DTBM-SEGPHOS®, (R)-DTBM-SEGPHOS(R), (S)-(+)-DTBM-SEGPHOS, ZNORAFJUESSLTM-UHFFFAOYSA-N, (R)-(-)-DTBM-SEGPHOS(regR), (S)-(+)-DTBM-SEGPHOS(regR), AKOS015903074, (S)-DTBM-SEGPHOS(R), >=94%, D4500, D4501, J-013770, I14-18553, I14-19192, (aR)-5,5'-Bis[bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4'-bi(1,3-benzodioxole), (aS)-5,5'-Bis[bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4'-bi[1,3-benzodioxole], (R)-(-)-5,5'-Bis[di(3,5-di-t-butyl-4-methoxyphenyl)phosphino]-4,4'-bi-1,3-benzodioxole, (S)-(+)-5,5'-Bis[di(3,5-di-t-butyl-4-methoxyphenyl)phosphino]-4,4'-bi-1,3-benzodioxole, 4,4'-Bi(5-(di(3,5-di(tert-butyl)-4-methoxyphenyl)phosphino)-1,3-benzodioxole), (R)-(-)-4,4'-Bis[di(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-3,3'-bi(1,2-methylenedioxybenzene), (R)-(-)-5,5 inverted exclamation marka-Bis[di(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4 inverted exclamation marka-bi-1,3-benzodioxole, (R)-(-)-5,5'-Bis[di(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4'-bi-1,3-benzodioxole, (R)-5,5'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphanyl)-4,4'-bibenzo[d][1,3]dioxole, (S)-(+)-4,4'-Bis[di(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-3,3'-bi(1,2-methylenedioxybenzene), (S)-(+)-5,5 inverted exclamation marka-Bis[di(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4 inverted exclamation marka-bi-1,3-benzodioxole, (S)-5,5'-Bis(bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphanyl)-4,4'-bibenzo[d][1,3]dioxole, [(4R)-(4,4 inverted exclamation marka-bi-1,3-benzodioxole)-5,5 inverted exclamation marka-diyl]bis[bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphine], (R)-(+)-DTBM- SEGPHOS, (S)-(+)-DTBM- SEGPHOS, CID11194192, CID 11194192,

Complexity	1750
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1178.689g/mol
Formal Charge	0
Heavy Atom Count	84
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	1179.554g/mol
Monoisotopic Mass	1178.689g/mol
Rotatable Bond Count	19
Topological Polar Surface Area	73.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	21.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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