2,7-Di-tert-butyl-9,9-dimethylxanthene

Base Information

• Chemical Name: 2,7-Di-tert-butyl-9,9-dimethylxanthene
• CAS No.: 130525-41-6
• Molecular Formula: C23H30 O
• Molecular Weight: 322.491
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID00401977
• Nikkaji Number: J1.914.487I
• Mol file: 130525-41-6.mol

Synonyms:2,7-Di-tert-butyl-9,9-dimethylxanthene;130525-41-6;2,7-ditert-butyl-9,9-dimethylxanthene;2,7-Di-tert-butyl-9,9-dimethyl-9H-xanthene;5-(sec-pentyl)barbituricacid;SCHEMBL669017;9H-Xanthene,2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-;DTXSID00401977;MFCD01863485;AKOS015914543;2,7-Ditert-butyl-9,9-dimethyl-9H-xanthene;2,7-Di-tert-butyl-9,9-dimethylxanthene, 97%;J-005821;InChI=1/C23H30O/c1-21(2,3)15-9-11-19-17(13-15)23(7,8)18-14-16(22(4,5)6)10-12-20(18)24-19/h9-14H,1-8H

Chemical Property of 2,7-Di-tert-butyl-9,9-dimethylxanthene

Chemical Property:

• Vapor Pressure: 2.39E-05mmHg at 25°C
• Melting Point: 188-192 ºC(lit.)
• Boiling Point: 370.2°C at 760 mmHg
• Flash Point: 175.3°C
• PSA: 9.23000
• Density: 0.98g/cm³
• LogP: 6.71320
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 322.229665576
• Heavy Atom Count: 24
• Complexity: 410

Purity/Quality:

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

2,7-Di-tert-butyl-9,9-dimethylxanthene 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=C(C=CC(=C2)C(C)(C)C)OC3=C1C=C(C=C3)C(C)(C)C)C
• Uses: 2,7-Di-tert-butyl-9,9-dimethylxanthene may be used in the preparation of 4,5-diamino-9,9′-dimethylxanthene.

Technology Process of 2,7-Di-tert-butyl-9,9-dimethylxanthene

There total 1 articles about 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: 70.0%

9,9-dimethylxanthene (19814-75-6) + tertiary butyl chloride (507-20-0) → 2,7-bis(1,1-dimethylethyl)-9,9-dimethylxanthene (130525-41-6)

Guidance literature:

With iron(III) chloride; In dichloromethane; at 15 - 35 ℃; for 15h;

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: 91.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,7-bis(1,1-dimethylethyl)-9,9-dimethylxanthene (130525-41-6) → 2,7-di-tert-butyl-4,5-bis(chloromethyl)-9,9-dimethyl-9H-xanthene (314754-57-9)

Guidance literature:

With hydrogenchloride; sulfuric acid; acetic acid; In water; at 70 - 80 ℃; Inert atmosphere;

DOI:10.1039/c3cc40378e

upstream raw materials:

9,9-dimethylxanthene

tertiary butyl chloride

Downstream raw materials:

4,5-dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene

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

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

N-(2,7-di-tert-butyl-9,9-dimethyl-5-phenylazo-9H-xanthen-4-yl)-N',N'-diethyl-terephthalamide

Refernces

• 1、 Kawase, Takeshi,Kishimoto, Keita,Kitamura, Chitoshi,Nishida, Jun-Ichi,Oda, Kasane. "Structurally strained cyclic xanthene dimers: A model for the rigid crown ether moiety in the reduced graphene oxide framework". . p. 2216 - 2220. Retrieved 2021/10/26.
• 2、 Nowick, James S.,Ballester, Pablo,Ebmeyer, Frank,Rebek Jr., Julius. "Convergent functional groups. 9. Complexation in new molecular clefts". . p. 8902 - 8906. Retrieved 2007/10/02.