Research chemical
CAS Number: 1536473-72-9
![[(2-Di-tert-butylphosphino-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl)-2-(2'-amino-1,1'-biphenyl)]palladium(II) methanesulfonate , tBuBrettPhos Pd G3 molecular structure, CAS 1536473-72-9](/structure-images/1536473-72-9.png?v=struct-v3)
Product details
PubChem CID
90645614
Exact Mass
853.31211
InChIKey
VKLHIPFGYVFUGT-UHFFFAOYSA-N
IUPAC Name
ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline
SMILES String
NC1=CC=CC=C1C2=CC=CC=C2[Pd]OS(=O)(C)=O.CC(C)(C)P(C3=C(OC)C=CC(OC)=C3C4=C(C(C)C)C=C(C(C)C)C=C4C(C)C)C(C)(C)C
[(2-Di-tert-butylphosphino-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl)-2-(2'-amino-1,1'-biphenyl)]palladium(II) methanesulfonate , tBuBrettPhos Pd G3 is identified by CAS 1536473-72-9, with molecular formula C44H62NO5PPdS, molecular weight 854.43, InChIKey VKLHIPFGYVFUGT-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
For laboratory research and professional procurement workflows.
Appearance
Brown-green solid
Physical State
solid
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
53
H-bond acceptors
6
H-bond donors
2
Rotatable bonds
11
Ring count
4
Aromatic rings
4
Topological polar surface area
87.85 Ų
Computed LogP
10.98
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal phosphine complex
Precious metal motif
Yes
Transition metal motif
Yes
Phosphine ligand motif
Yes
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Research Catalog Compound - Transition Metal Phosphine Complex (CAS 1536473-72-9) is listed for phosphine ligand sourcing for catalyst or coordination screening.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: ligand-focused research workflows where steric and electronic fit are reviewed by the buyer, with buyer review before selection.
Documentation needs
Preliminary handling notes only; confirm supplier SDS before handling. Review storage, transport, and documentation requirements internally before order acceptance.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSubmit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.