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tbuttphos Pd G3 - 96%, high purity , CAS No.1536473-72-9

COA

Grade & Purity:

≥96%

Cas Number: 1536473-72-9
Molecular Weight: 854.43
MDL number: MFCD25976528
PubChem CID: 90645614
PubChem SID: 329765730

In stock

Item Number

M299605

Grouped product items
SKU	Size	Availability	Price
M299605-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$64.90
M299605-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
M299605-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$302.90

Discover tbuttphos Pd G3 by Aladdin Scientific in 96% for only $64.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	tBuBrettPhos Pd G3 \| 1536473-72-9 \| MFCD25976528 \| [(2-Di-tert-butylphosphino-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl)-2-(2'-amino-1,1'-biphenyl)]palladium(II) methanesulfonate \| [2'-(Amino-kappaN)[1,1'-biphenyl]-2-yl-kappaC][[3,6-dimethoxy-2',4',6'-tri
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	Monocyclic monoterpenoids Dimethoxybenzenes Aromatic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Anisoles Aniline and substituted anilines Alkyl aryl ethers Primary aromatic amines Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Organic phosphines and derivatives Organic transition metal salts Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework	Not available
Substituents	Biphenyl - P-dimethoxybenzene - Dimethoxybenzene - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Anisole - Alkyl aryl ether - Primary aromatic amine - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Phosphine - Organic transition metal salt - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary amine - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Organic anion - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	329765730
IUPAC Name	ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline
INCHI	InChI=1S/C31H49O2P.C12H10N.CH4O3S.Pd/c1-19(2)22-17-23(20(3)4)27(24(18-22)21(5)6)28-25(32-13)15-16-26(33-14)29(28)34(30(7,8)9)31(10,11)12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h15-21H,1-14H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;
InChIKey	VKLHIPFGYVFUGT-UHFFFAOYSA-N
Smiles	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C(C)(C)C)C(C)(C)C)OC)OC)C(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
Isomeric SMILES	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C(C)(C)C)C(C)(C)C)OC)OC)C(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]
PubChem CID	90645614
Molecular Weight	854.43

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	119-131 °C
Molecular Weight	855.400 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	854.32 Da
Monoisotopic Mass	854.32 Da
Topological Polar Surface Area	107.000 Å²
Heavy Atom Count	53
Formal Charge	-1
Complexity	1030.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	4

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