1,4-di-tert-Butyl-2,5-dimethoxybenzene

Base Information

• Chemical Name: 1,4-di-tert-Butyl-2,5-dimethoxybenzene
• CAS No.: 7323-63-9
• Molecular Formula: C16H26O2
• Molecular Weight: 250.381
• Hs Code.: 2909309090
• European Community (EC) Number: 615-933-4
• NSC Number: 124045
• DSSTox Substance ID: DTXSID8074782
• Nikkaji Number: J32.090K
• Wikidata: Q82002968
• ChEMBL ID: CHEMBL1795409
• Mol file: 7323-63-9.mol

Synonyms:1,4-di-tert-Butyl-2,5-dimethoxybenzene;7323-63-9;Benzene, 1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy-;1,4-ditert-butyl-2,5-dimethoxybenzene;1,4-Di-t-Butyl-2,5-dimethoxybenzene;2,5-di-tert-Butyl-1,4-dimethoxybenzene;NSC124045;Maybridge4_002997;YSWG567;SCHEMBL398164;Benzene,1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy-;CHEMBL1795409;DTXSID8074782;HMS1529I05;CCG-47725;MFCD00026281;2,5-di-t-butyl-1,4-dimethoxybenzene;AKOS015837956;CS-W005506;NSC 124045;NSC-124045;2,4-Dimethoxy-1,4-di-tert-butylbenzene;DS-18281;FT-0606906;A866120;J-400177;SR-01000637320-1;BRD-K33007608-001-02-3

Chemical Property of 1,4-di-tert-Butyl-2,5-dimethoxybenzene

Chemical Property:

• Vapor Pressure: 0.00022mmHg at 25°C
• Melting Point: 103-104 °C
• Refractive Index: 1.476
• Boiling Point: 336.3 °C at 760 mmHg
• Flash Point: 115.3 °C
• PSA: 18.46000
• Density: 0.924 g/cm³
• LogP: 4.29880
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 250.193280068
• Heavy Atom Count: 18
• Complexity: 231

Purity/Quality:

99.50% ^*data from raw suppliers

1,4-Di-tert-butyl-2,5-dimethoxybenzene 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)C)OC

Technology Process of 1,4-di-tert-Butyl-2,5-dimethoxybenzene

There total 11 articles about 1,4-di-tert-Butyl-2,5-dimethoxybenzene 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: 94.0%

2,5-bis(1,1-dimethylethyl)-1,4-benzenediol (88-58-4) + methyl iodide (74-88-4) → 1,4-di-tert-butyl-2,5-dimethoxybenzene (7323-63-9)

Guidance literature:

2,5-bis(1,1-dimethylethyl)-1,4-benzenediol; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 0.25h; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; mineral oil; at 40 ℃; for 2h;

DOI:10.1039/c5ta00899a

Reference yield: 67.0%

1,4-dimethoxybezene (150-78-7) + tert-butyl alcohol (75-65-0) → 1,4-di-tert-butyl-2,5-dimethoxybenzene (7323-63-9)

Guidance literature:

With sulfuric acid; In acetic acid;

DOI:10.1016/S0022-1139(00)80911-2

Reference yield: 59.0%

tertiary butyl chloride (507-20-0) + 1,4-dimethoxybezene (150-78-7) → 1,4-dimethoxy-2-tert-butylbenzene (21112-37-8) + 1,4-di-tert-butyl-2,5-dimethoxybenzene (7323-63-9)

Guidance literature:

rhenium(I) pentacarbonyl bromide; In 1,2-dichloro-ethane; at 84 ℃; for 0.5h; Product distribution;

DOI:10.1246/bcsj.73.2779

upstream raw materials:

2,5-bis(1,1-dimethylethyl)-1,4-benzenediol

dimethyl sulfate

2,5-di-tert-butyl-4-methoxyphenol

isobutene

Downstream raw materials:

2,5-di-tert-butyl-3-<(perfluorobutyryl)oxy>-1,4-dimethoxybenzene

Pentafluorobenzoic acid

tert-butyl 2,3,4,5,6-pentafluorobenzoate

2,3,4,5,6-Pentafluoro-benzoic acid 4-tert-butyl-2,5-dimethoxy-phenyl ester