(S)-(+)-5,5'-Bis[Di(3,5-Di-Tert-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole

Catalog Number	ACM210169407-1
CAS	210169-40-7
Structure
Synonyms	(S)-DTBM-SEGPHOS
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
Molecular Weight	1179.53
Molecular Formula	C74H100O8P2
InChI	ZNORAFJUESSLTM-UHFFFAOYSA-N
InChI Key	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
Boiling Point	987.3±65.0 °C(Predicted)
Melting Point	126-128 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)C7=CC(=C(C(=C7)C(C)(C)C)OC)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)OC)C(C)(C)C

Q&A

What is the IUPAC name of (S)-(+)-5,5'-Bis[Di(3,5-Di-Tert-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

[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

What is the CAS number of (S)-(+)-5,5'-Bis[Di(3,5-Di-Tert-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

566940-03-2, 210169-40-7

What is the Canonical SMILES of (S)-(+)-5,5'-Bis[Di(3,5-Di-Tert-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)C7=CC(=C(C(=C7)C(C)(C)C)OC)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)OC)C(C)(C)C

What is the Computed Properties Rotatable Bond Count of (S)-(+)-5,5'-Bis[Di(3,5-Di-Tert-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

19

What is the Molecular Weight of (S)-(+)-5,5'-Bis[Di(3,5-Di-Tert-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

1179.5g/mol

What is the Monoisotopic Mass of (S)-(+)-5,5'-Bis[Di(3,5-Di-Tert-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

1178.68934414

What is the Depositor-Supplied Synonym of (S)-(+)-5,5'-Bis[Di(3,5-Di-Tert-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole that contains the term "(S)-(+)-5,5'-Bis[di(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4'-bi-1,3-benzodioxole"?

(S)-(+)-DTBM-SEGPHOS, (S)-(+)-5,5'-Bis[di(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4'-bi-1,3-benzodioxole

What is the Computed Properties Heavy Atom Count of (S)-(+)-5,5'-Bis[Di(3,5-Di-Tert-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

84

What is the InChIKey of (S)-(+)-5,5'-Bis[Di(3,5-Di-Tert-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

ZNORAFJUESSLTM-UHFFFAOYSA-N

What is the European Community (EC) Number of (S)-(+)-5,5'-Bis[Di(3,5-Di-Tert-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

811-694-7, 811-888-1