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Merck
CN

901215

Ephos

greener alternative

≥95%, powder or crystals

Synonym(s):

Dicyclohexyl(3-isopropoxy-2′,4′,6′-triisopropyl-[1,1′-biphenyl]-2-yl)phosphane

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About This Item

Empirical Formula (Hill Notation):
C36H55OP
CAS Number:
2118959-55-8
Molecular Weight:
534.80
MDL number:
MFCD31619192
UNSPSC Code:
12352128
NACRES:
NA.22

Key Documents

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Product Name

Ephos, ≥95%

SMILES string

P(C4CCCCC4)(C3CCCCC3)c1c(cccc1c2c(cc(cc2C(C)C)C(C)C)C(C)C)OC(C)C

InChI

1S/C36H55OP/c1-24(2)28-22-32(25(3)4)35(33(23-28)26(5)6)31-20-15-21-34(37-27(7)8)36(31)38(29-16-11-9-12-17-29)30-18-13-10-14-19-30/h15,20-27,29-30H,9-14,16-19H2,1-8H3

InChI key

FDAKNRLXSJBEFL-UHFFFAOYSA-N

assay

≥95%

form

powder or crystals

reaction suitability

reaction type: Buchwald-Hartwig Cross Coupling Reaction
reaction type: Heck Reaction
reaction type: Hiyama Coupling
reaction type: Negishi Coupling
reaction type: Sonogashira Coupling
reaction type: Stille Coupling
reaction type: Suzuki-Miyaura Coupling
reagent type: catalyst
reaction type: Cross Couplings
reagent type: ligand

Quality Level

100

greener alternative product score

old score: 41
new score: 28
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greener alternative product characteristics

Atom Economy
Safer Solvents and Auxiliaries
Inherently Safer Chemistry for Accident Prevention
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sustainability

Greener Alternative Product

mp

161-162 °C

functional group

phosphine

greener alternative category

Re-engineered

Related Categories

Application

Buchwald ligand for Pd-catalyzed C–N cross-coupling between primary amines and aryl
halides to form 2-arylaminooxazoles. Catalyst system was reported with NaOPh (CDS001581).
Ephos can be used as a ligand in the palladium-catalyzed synthesis of 4-arylaminothiazoles and 2-arylaminooxazoles.

Other Notes

Mechanistic Insight Leads to a Ligand That Facilitates the Pd-Catalyzed Formation of 2-(Hetero)Arylaminooxazoles and 4-(Hetero)Arylaminothiazoles

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR8213
MKCW4338
MKCT5602
MKCT1755
SHBK8018

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Mechanistic Insight Leads to a Ligand That Facilitates the Pd?Catalyzed Formation of 2?(Hetero) Arylaminooxazoles and 4?(Hetero) Arylaminothiazoles.
Olsen E P, et al.
Angewandte Chemie (International Edition in English) (2017)

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