Tetramethyl tBuXPhos - ≥98% , CAS No.857356-94-6

CAS: 857356-94-6 Cat. No.: T139345 Molecular Weight: 480.75 EC Number: 813-582-3 PubChem CID: 11953610
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
2-Di-tert-butylphosphino-3,4,5,6-tetramethyl-2a(2),4a(2),6a(2)-triisopropyl-1,1a(2)-biphenyl | 2-(di-tert-butylphosphino)-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl | di-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethyl-[1,1'-biphenyl]-2-y
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
T139345-50mg
3
$9.90
100mg
T139345-100mg
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$10.90
250mg
T139345-250mg
3

$16.90

$25.90
Save $9.00 (34.75%)
1g
T139345-1g
3

$35.90

$53.90
Save $18.00 (33.40%)
5g
T139345-5g
2

$178.90

$268.90
Save $90.00 (33.47%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Tetramethyl tBuXPhos is a ligand employed in a palladium-catalyzed amidation of aryl chlorides
A ligand for palladium-catalyzed amidation of aryl chlorides

Specifications

Synonyms
2-Di-tert-butylphosphino-3, 4, 5, 6-tetramethyl-2a(2), 4a(2), 6a(2)-triisopropyl-1, 1a(2)-biphenyl | 2-(di-tert-butylphosphino)-3, 4, 5, 6-tetramethyl-2', 4', 6'-triisopropyl-1, 1'-biphenyl | di-tert-butyl(2', 4', 6'-triisopropyl-3, 4, 5, 6-tetramethyl-[1, 1'-biphenyl]-2-y
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid504766804
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504766804
Canonical SmilesCC1=C(C(=C(C(=C1C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)P(C(C)(C)C)C(C)(C)C)C)C
IUPAC Nameditert-butyl-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
InChIKeyRCRYEYMHBHPZQD-UHFFFAOYSA-N
INCHI1S/C33H53P/c1-19(2)26-17-27(20(3)4)30(28(18-26)21(5)6)29-24(9)22(7)23(8)25(10)31(29)34(32(11,12)13)33(14,15)16/h17-21H,1-16H3
Isomeric SMILES CC1=C(C(=C(C(=C1C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)P(C(C)(C)C)C(C)(C)C)C)C
WGK Germany 3
PubChem CID 11953610
Molecular Weight 480.75

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBiphenyls and derivatives
Intermediate Tree Nodes Not available
Direct ParentBiphenyls and derivatives
Alternative Parents Monocyclic monoterpenoids  Aromatic monoterpenoids  Phenylpropanes  Cumenes  Organic phosphines and derivatives  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Biphenyl - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Phosphine - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeDateItem
E2615024Certificate of AnalysisMay 26, 2026 T139345
F2412030Certificate of AnalysisMar 17, 2026 T139345
B2210217Certificate of AnalysisAug 11, 2025 T139345
B2210298Certificate of AnalysisAug 11, 2025 T139345
B2210299Certificate of AnalysisAug 11, 2025 T139345
B2210536Certificate of AnalysisAug 11, 2025 T139345
H2119415Certificate of AnalysisJun 06, 2023 T139345
H2119416Certificate of AnalysisJun 06, 2023 T139345
Chemical and Physical Properties
SensitivityAir sensitive
Melt Point(°C)168-172 °C
Molecular Weight480.700 g/mol
XLogP39.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Exact Mass480.388 Da
Monoisotopic Mass480.388 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count34
Formal Charge0
Complexity600.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
Reviews

Customer Reviews

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