Di-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethyl-[1,1'-biphenyl]-2-yl)phosphine

Base Information

• Chemical Name: Di-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethyl-[1,1'-biphenyl]-2-yl)phosphine
• CAS No.: 857356-94-6
• Molecular Formula: C₃₃H₅₃P
• Molecular Weight: 480.758
• European Community (EC) Number: 813-582-3
• DSSTox Substance ID: DTXSID90474599
• Nikkaji Number: J2.202.065J
• Wikidata: Q72470099
• Mol file: 857356-94-6.mol

Synonyms:857356-94-6;Di-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethyl-[1,1'-biphenyl]-2-yl)phosphine;2-Di-tert-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl;Me4tButylXphos;2-Di-t-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-tri-i-propylbiphenyl;ditert-butyl-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-(di-tert-butylphosphino)-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl;2-DI-TERT-BUTYLPHOSPHINO-3,4,5,6-TETRAM&;MFCD09038436;di-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethyl-[1,1'-biphenyl]-2-yl)phosphane;di-tert-butyl[3,4,5,6-tetramethyl-2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane;Tetramethyl di-tBuXPhos;Me4tButylXphos, 96%;SCHEMBL29563;DTXSID90474599;RCRYEYMHBHPZQD-UHFFFAOYSA-N;AMY11713;AKOS016002068;CS-W001169;AS-73730;SY010087;FT-0754875;F10200;EN300-7353863;A855686;Y-200020;2-di-t-butylphosphino-3,4,5,6-teramethyl-2',4',6'-triisopropylbiphenyl;2-(di-tert-butylphosphino)-2',4',6'-triisopropyl-3,4,5,6-tetramethyl-1,1'-biphenyl;2-di-t-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-tri-1-isopropylbiphenyl;2-di-t-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl;2-di-tert-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-tri-i-propylbiphenyl;2-di-tert-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-tri-isopropylbiphenyl;2-DI-TERT-BUTYLPHOSPHINO-3,4,5,6-TETRAMETHYL-2',4',6'-TRIISOPROPYLBIPHENYL;2-dit-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'biphenyl;di-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethylbiphenyl-2-yl)phosphine;di-tert-butyl[3,4,5,6-tetramethyl-2',4',6'-tri(propan-2-yl)biphenyl-2-yl]phosphane;2-Di-tert-butylphosphino-3,4,5,6-tetramethyl-2 inverted exclamation mark ,4 inverted exclamation mark ,6 inverted exclamation mark -triisopropyl-1,1 inverted exclamation mark -biphenyl;2-Di-tert-butylphosphino-3,4,5,6-tetramethyl-2a(2),4a(2),6a(2)-triisopropyl-1,1a(2)-biphenyl;Di-tert-butyl[3,4,5,6-tetramethyl-2',4',6'-tri(propan-2-yl)[1,1'-biphenyl]-2-yl]phosphane

Chemical Property of Di-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethyl-[1,1'-biphenyl]-2-yl)phosphine

Chemical Property:

• Melting Point: 168-172 °C
• Boiling Point: 534.094 °C at 760 mmHg
• Flash Point: 294.365 °C
• PSA: 13.59000
• LogP: 10.66160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 480.38848869
• Heavy Atom Count: 34
• Complexity: 600

Purity/Quality:

98% ^*data from raw suppliers

2-Di-t-butylphosphino-3,4,5,6-tetramethyl-2',4',6'-tri-i-propyl)-1,1'-biphenyl, min. 98% Me4 t-BuXPhos ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37-60

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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
• Uses: Ligand used in a palladium-catalyzed amidation of aryl chlorides.

Technology Process of Di-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethyl-[1,1'-biphenyl]-2-yl)phosphine

There total 2 articles about Di-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethyl-[1,1'-biphenyl]-2-yl)phosphine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 64.0%

di(tert-butyl)chlorophosphine (13716-10-4) + 2,4,6-triisopropyl-1-bromobenzene (21524-34-5) + 1,2-dibromo-3,4,5,6-tetramethylbenzene (36321-73-0) → 2-di-tertbutylphosphino-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl (857356-94-6)

Guidance literature:

2,4,6-triisopropyl-1-bromobenzene; With magnesium; ethylene dibromide; In tetrahydrofuran; at 60 ℃; for 0.25h;

1,2-dibromo-3,4,5,6-tetramethylbenzene; In tetrahydrofuran; at 60 ℃; for 1.5h;

di(tert-butyl)chlorophosphine; With copper(l) iodide; In tetrahydrofuran; at 75 ℃; for 40h;

DOI:10.1021/ja050471r

Reference yield:

1,2,3,4-Tetramethylbenzene (488-23-3) → 2-di-tertbutylphosphino-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl (857356-94-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 85 percent / bromine; ZnCl₂ / acetic acid / 14 h / 20 °C

2.1: magnesium; 1,2-dibromoethane / tetrahydrofuran / 1.5 h / 60 °C

2.2: tetrahydrofuran / 1.5 h / 60 °C

2.3: 62 percent / CuCl / tetrahydrofuran / 40 h / 75 °C

With bromine; magnesium; ethylene dibromide; zinc(II) chloride; In tetrahydrofuran; acetic acid;

DOI:10.1002/anie.200601253

Reference yield: 99.0%

2-di-tertbutylphosphino-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl (857356-94-6) + (tetrahydrothiophene)gold(I) chloride (39929-21-0) → chloro[(2’,4’,6’-triisopropyl-3,4,5,6-tetramethyl-1,1’-biphenyl-2-yl)di-tert-butylphosphine]gold(I) (1140907-91-0)

Guidance literature:

In dichloromethane; for 1.75h;

DOI:10.1071/CH13552

upstream raw materials:

di(tert-butyl)chlorophosphine

2,4,6-triisopropyl-1-bromobenzene

1,2-dibromo-3,4,5,6-tetramethylbenzene

1,2,3,4-Tetramethylbenzene

Downstream raw materials:

chloro[(2’,4’,6’-triisopropyl-3,4,5,6-tetramethyl-1,1’-biphenyl-2-yl)di-tert-butylphosphine]gold(I)

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