4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene

Base Information

• Chemical Name: 4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene
• CAS No.: 130525-43-8
• Molecular Formula: C23H28 Br2 O
• Molecular Weight: 480.283
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID00400985
• Nikkaji Number: J1.601.999B
• Wikidata: Q82204054
• Mol file: 130525-43-8.mol

Synonyms:130525-43-8;4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene;4,5-dibromo-2,7-ditert-butyl-9,9-dimethylxanthene;4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene;9H-Xanthene, 4,5-dibromo-2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-;SCHEMBL708899;DTXSID00400985;OJJSJAIHWCFVBK-UHFFFAOYSA-N;AKOS015916603;AS-80159;FT-0643132;4,5-dibromo-2,7-di-t-butyl-9,9-dimethylxanthene;J-005822;2,7-di-tert-butyl-4,5-dibromo-9,9-dimethylxanthene;4,5-dibromo-2,7-di(tert-butyl)-9,9-dimethylxanthene;2,7-Ditert-butyl-4,5-dibromo-9,9-dimethyl-9H-xanthene;4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene, 97%;InChI=1/C23H28Br2O/c1-21(2,3)13-9-15-19(17(24)11-13)26-20-16(23(15,7)8)10-14(12-18(20)25)22(4,5)6/h9-12H,1-8H

Chemical Property of 4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene

Chemical Property:

• Vapor Pressure: 3.46E-07mmHg at 25°C
• Melting Point: 260-262 °C(lit.)
• Refractive Index: 1.56
• Boiling Point: 429.7°C at 760 mmHg
• Flash Point: 178°C
• PSA: 9.23000
• Density: 1.329g/cm³
• LogP: 8.23820
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 480.04864
• Heavy Atom Count: 26
• Complexity: 471

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=C(C(=CC(=C2)C(C)(C)C)Br)OC3=C1C=C(C=C3Br)C(C)(C)C)C
• Uses: 4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene may be used in the synthesis of:2,7-di-tert-butyl-4,5-diiodo-9,9-dimethylxanthenenew NON-donor ligand, 4,5-bis(2,6-diisopropylanilino)-2,7-di-tert-butyl-9,9-dimethylxanthenebis(diethylamino)xantphos, via one-pot metalation reaction and and quenching with bis(diethylamino)chlorophosphine

Technology Process of 4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene

There total 4 articles about 4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethylxanthene 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: 100.0%

2,7-bis(1,1-dimethylethyl)-9,9-dimethylxanthene (130525-41-6) → 4,5-dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene (130525-43-8)

Guidance literature:

With bromine; In chloroform; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/chem.201603156

Reference yield:

9,9-dimethylxanthene (19814-75-6) → 4,5-dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene (130525-43-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 58 percent / FeCl₃ / CH₂Cl₂ / 1.) from 0 deg C to RT, 3 h, 2.) 15 h

2: bromine / CCl₄ / 1.) from 0 deg C to RT, 3 h, 2.) 23 h

3: Fe, bromine / CCl₄ / 26 h / Ambient temperature

With bromine; iron(III) chloride; iron; In tetrachloromethane; dichloromethane;

DOI:10.1021/ja00180a038

Reference yield:

4-bromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene (352336-84-6) → 4,5-dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene (130525-43-8)

Guidance literature:

With bromine; iron; In tetrachloromethane; for 26h; Yield given; Ambient temperature;

DOI:10.1021/ja00180a038

upstream raw materials:

4-bromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene

2,7-bis(1,1-dimethylethyl)-9,9-dimethylxanthene

9,9-dimethylxanthene

xanth-9-one

Downstream raw materials:

2,7-di-t-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid

1,1'-[2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-9H-xanthene-4,5-diyl]bis[1,1-diphenylphosphine]

2,7-di-tert-butyl-9,9-dimethyl-4,5-bis(diphenylarsino)xanthene

4-(5-bromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthen-4-yl)benzoic acid methyl ester