3D Mol Similar

XPhos Pd G2

: CAS No.: 1310584-14-5; Molecular Weight：785.795481; Modify Date.: 2023-02-20 06:42

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1. Names and Identifiers

: 1.1 Name; XPhos Pd G2; 1.2 Synonyms; (SP-4-4)-[2'-Amino[1,1'-biphenyl]-2-yl]chloro[dicyclohexyl[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine]palladium [1,1'-Biphenyl]-2-amine, palladium(1+) salt, compd. with dicyclohexyl[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine, hydrochloride (1:1:1:1) 2nd Generation XPhos Precatalyst Chloro(2-dicyclohexylphosphin Chloro(2-dicyclohexylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl) palladium(II) Chloro(2-dicyclohexylphosphino-2',4',6'-triisopropyl-1,1'-biphenyl)[2-(2'-aMino-1,1'-biphenyl)]palladiuM(II) Palladium-Xphos X-Phos aminobiphenyl palladium chloride precatalyst; View all

1.3 CAS No.: 1310584-14-5

1.4 Molecular Formula: C45H58ClNPPd+2 (isomer)

1.5 Inchi: InChI=1S/C33H48ClP.C12H10N.Pd/c1-22(2)25-20-29(23(3)4)32(30(21-25)24(5)6)28-18-13-19-31(34)33(28)35(26-14-9-7-10-15-26)27-16-11-8-12-17-27;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h13,18-24,26-27H,7-12,14-17H2,1-6H3;1-6,8-9H,13H2;/q;;+2

1.6 InChIkey: USWOVTRTHZODCW-UHFFFAOYSA-N

1.7 Canonical Smiles: NC1=CC=CC=C1C1=CC=CC=C1[Pd++].CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)C1=CC=CC(Cl)=C1P(C1CCCCC1)C1CCCCC1

1.8 Isomers Smiles: CC(C1C=C(C(=C(C(C)C)C=1)C1=CC(P(C2CCCCC2)C2CCCCC2)=CC=C1)C(C)C)C.C1C=[C-]C(C2C(N)=CC=CC=2)=CC=1.[Cl-].[Pd+2]

2. Properties

2.1 Melting point: 202-210°C

2.1 Precise Quality: 783.29500

2.1 PSA: 13.59000

2.1 logP: 14.05890

2.1 Appearance: white Powder

2.2 Color/Form: white

2.3 StorageTemp: under inert gas (nitrogen or Argon) at 2-8°C

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Risk Statements: 36/37/38

3.1 Safety Statements: 26

3.1 RIDADR: NONH for all modes of transport

3.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/…if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. Other Information

5.0 Uses: XPhos Pd G2 is a used as a catalyst in chemical reactions.

5.1 Uses

XPhos Pd G2 was employed as catalyst in the following reactions:

Palladium-catalyzed Suzuki-Miyaura coupling reactions of potassium organotrifluoroborates and sulfamates.
Suzuki-Miyaura cross-coupling reactions of sensitive aryl and heteroarylboronic acids.
Synthesis of potassium Boc-protected secondary aminomethyltrifluoroborates, via Suzuki-Miyaura cross-coupling reaction.

5.2 General Description: XPhos Pd G2 is a bulky monodentate biaryl ligand. It is a Buchwald′s 2^nd generation preformed catalyst. It undergoes rapid reductive elimination to form a reactive, monoligated Pd(0) species.

5.3 Reaction: Palladium precatalyst for Suzuki-Miyaura coupling reactions.

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