2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid

Base Information

Chemical Name:2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid
CAS No.:130525-39-2
Molecular Formula:C25H30 O5
Molecular Weight:410.51
Hs Code.:
DSSTox Substance ID:DTXSID60391148
Nikkaji Number:J935.812I
Wikidata:Q82188409
Mol file:130525-39-2.mol

Synonyms:130525-39-2;2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid;2,7-DI-TERT-BUTYL-9,9-DIMETHYL-4,5-XANTHENEDICARBOXYLIC ACID;2,7-ditert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid;2,7-Di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-dicarboxylic acid;SCHEMBL504056;DTXSID60391148;VJSNHUACDSJJCU-UHFFFAOYSA-N;AKOS015893973;FT-0643131;J-005820;2,7-di-t-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid;2,7-Di-tert-butyl-9,9-dimethyl-4,5-xanth enedicarboxylic acid,98%;2,7-DI-TERT-BUTYL-9,9-DIMETHYL-4,5-XANTHENEDICARBOXYLICACID;2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid, 98%;InChI=1/C25H30O5/c1-23(2,3)13-9-15(21(26)27)19-17(11-13)25(7,8)18-12-14(24(4,5)6)10-16(22(28)29)20(18)30-19/h9-12H,1-8H3,(H,26,27)(H,28,29

Suppliers and Price of 2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid 98%
1g
$ 122.00

American Custom Chemicals Corporation
2,7-DI-TERT-BUTYL-9,9-DIMETHYLXANTHENE-4,5-DICARBOXYLIC ACID 95.00%
1G
$ 684.23

AK Scientific
2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid
1g
$ 162.00

AHH
2,7-Di-tert-butyl-9,9-dimethyl-4,5-xanthenedicarboxylicacid 98%
25g
$ 478.00

Total 7 raw suppliers

Chemical Property of 2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid

Chemical Property:

Vapor Pressure:2.29E-11mmHg at 25°C
Melting Point:307-309 °C
Refractive Index:1.565
Boiling Point:513.4°C at 760 mmHg
PKA:3.19±0.40(Predicted)
Flash Point:167.2°C
PSA：83.83000
Density:1.159g/cm³
LogP:6.10960
XLogP3:6.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:410.20932405
Heavy Atom Count:30
Complexity:627

Purity/Quality:

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

2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C2=CC(=CC(=C2OC3=C(C=C(C=C31)C(C)(C)C)C(=O)O)C(=O)O)C(C)(C)C)C
Uses 2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid may be used in the synthesis of 2,7-di-tert-butyl-9,9-dimethyl-4,5-bis(4-tritylanilinocarbon-yl)-9H-xanthene methanol trisolvate monohydrate.

Technology Process of 2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid

There total 5 articles about 2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid 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: 83.0%

: 124-38-9,18923-20-1
carbon dioxide

: 130525-43-8
4,5-dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene

: 130525-39-2
2,7-di-t-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid

Guidance literature:: 4,5-dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene; With n-butyllithium; In tetrahydrofuran; hexane;

carbon dioxide; With hydrogenchloride; In tetrahydrofuran; hexane;
DOI:10.1021/jo0490548

Reference yield:

: 19814-75-6
9,9-dimethylxanthene

: 130525-39-2
2,7-di-t-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid

Guidance literature:: Multi-step reaction with 4 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

4: 1.) n-BuLi / 1.) THF, hexane, -78 deg C, 30 min, 2.) from -78 deg C to RT

With n-butyllithium; bromine; iron(III) chloride; iron; In tetrachloromethane; dichloromethane;
DOI:10.1021/ja00180a038

Reference yield:

: 130525-41-6
2,7-bis(1,1-dimethylethyl)-9,9-dimethylxanthene

: 130525-39-2
2,7-di-t-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 61 percent / Br₂; Fe / CHCl₃ / 20 °C

2.1: n-BuLi / hexane; tetrahydrofuran

2.2: 83 percent / hydrochloric acid / hexane; tetrahydrofuran

With n-butyllithium; bromine; iron; In tetrahydrofuran; hexane; chloroform;
DOI:10.1021/jo0490548