(R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole

Catalog Number	ACM566940032-1
CAS	566940-03-2
Structure
Synonyms	(R)-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 CAS number for (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

The CAS numbers are 566940-03-2 and 210169-40-7 for (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole.

How many heavy atoms are present in the molecular structure of (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

There are 84 heavy atoms present in the molecular structure of (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole.

What is the molecular formula of (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

The molecular formula is C74H100O8P2 for (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole.

How many covalently-bonded units are in the structure of (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

There is 1 covalently-bonded unit in the structure of (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole.

What is the XLogP3 value for (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

The XLogP3 value is 21.8 for (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole.

Is there any formal charge present in (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

No, there is no formal charge present in (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole.

What is the molecular weight of (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

The molecular weight is 1179.5 g/mol for (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole.

What are some of the synonyms for (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

Some synonyms include (R)-DTBM-SEGPHOS, dtbm-segphos, (R)-(-)-DTBM-SEGPHOS, and others listed.

How many rotatable bonds are present in the molecular structure of (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

There are 19 rotatable bonds present in the molecular structure.

What is the exact mass and monoistopic mass of (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole?

The exact mass is 1178.68934414 and the monoistopic mass is also 1178.68934414 for (R)-(-)-5,5'-Bis[Di(3,5-Di-T-Butyl-4-Methoxyphenyl)Phosphino]-4,4'-Bi-1,3-Benzodioxole.