2-(Dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl

Catalog Number	ACM1070663783-1
CAS	1070663-78-3
Structure
Synonyms	2-Dicyclohexylphosphino-2',4',6'-Triisopropyl-3,6-Dimethoxybiphenyl
IUPAC Name	dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Molecular Weight	536.78
Molecular Formula	C35H53O2P
InChI	WDVGNXKCFBOKDF-UHFFFAOYSA-N
InChI Key	InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3
Boiling Point	607.7±55.0 °C(Predicted)
Melting Point	191-193 °C
Purity	98%
Appearance	Solid
Common Name	BrettPhos
Isomeric SMILES	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C
Type	Buchwald Ligands

Q&A

What is the CAS number for 2-(Dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl?

The CAS number is 1070663-78-3.

What is the molecular formula of 2-(Dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl?

The molecular formula is C35H53O2P.

How many hydrogen bond acceptors are present in 2-(Dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl?

There are 2 hydrogen bond acceptors.

What is the molecular weight of 2-(Dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl?

The molecular weight is 536.8g/mol.

Is 2-(Dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl a defined atom stereocenter count or undefined atom stereocenter count?

It has a defined atom stereocenter count of 0 and undefined atom stereocenter count of 0.

What is the Canonical SMILES representation of 2-(Dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl?

The Canonical SMILES is CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.

What is the InChIKey for 2-(Dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl?

The InChIKey is WDVGNXKCFBOKDF-UHFFFAOYSA-N.

How many heavy atoms are present in 2-(Dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl?

There are 38 heavy atoms.

What is the XLogP3 value of 2-(Dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl?

The XLogP3 value is 10.1.

What are some of the Depositor-Supplied Synonyms for 2-(Dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl?

Some Depositor-Supplied Synonyms include BrettPhos, Dicyclohexyl(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine, and Buchwald phosphine ligands, brettphos phosphine ligand, among others.