(S)-(-)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole

Catalog Number	ACM210169576-1
CAS	210169-57-6
Structure
Synonyms	(S)-DM-SEGPHOS
IUPAC Name	[4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane
Molecular Weight	722.79
Molecular Formula	C46H44O4P2
InChI	XJJVPYMFHXMROQ-UHFFFAOYSA-N
InChI Key	InChI=1S/C46H44O4P2/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38/h9-24H,25-26H2,1-8H3
Boiling Point	816.9±65.0 °C(Predicted)
Melting Point	256-261 °C
Purity	94%+
Appearance	Solid
Isomeric SMILES	CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C

Q&A

What is the CAS number for (S)-(-)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole (S)-(-)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole?

The CAS numbers are 210169-57-6 and 850253-53-1.

What is the Canonical SMILES representation of (S)-(-)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole?

CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C

How many heavy atoms are present in (S)-(-)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole?

There are 52 heavy atoms.

How many hydrogen bond acceptors are present in (S)-(-)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole?

There are 4 hydrogen bond acceptors.

What is the XLogP3 value for (S)-(-)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole?

The XLogP3 value is 11.5.

What is the IUPAC name of (S)-(-)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole?

[4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane

What is the molecular formula of (S)-(-)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole?

The molecular formula is C46H44O4P2.

What is the molecular weight of (S)-(-)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole?

The molecular weight is 722.8 g/mol.

Are there any atom or bond stereocenters defined in (S)-(-)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole?

No, there are no defined atom or bond stereocenters.

Can you provide an alternative name or synonym for (S)-(-)-5,5'-Bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole?

An alternative name is (R)-DM-Segphos.