2,5-Diisopropylphenol

Base Information

• Chemical Name: 2,5-Diisopropylphenol
• CAS No.: 35946-91-9
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• Hs Code.: 2907199090
• European Community (EC) Number: 252-807-4
• UNII: H4WT3D9GR6
• DSSTox Substance ID: DTXSID2073483
• Nikkaji Number: J185.753C
• Wikidata: Q27279642
• Metabolomics Workbench ID: 45624
• ChEMBL ID: CHEMBL1795398
• Mol file: 35946-91-9.mol

Synonyms:2,5-Diisopropylphenol;35946-91-9;2,5-di(propan-2-yl)phenol;2,5-bis(propan-2-yl)phenol;Phenol, 2,5-bis(1-methylethyl)-;EINECS 252-807-4;UNII-H4WT3D9GR6;H4WT3D9GR6;Phenol,2,5-bis(1-methylethyl)-;2,5diisopropylphenol;SCHEMBL771497;CHEMBL1795398;DTXSID2073483;2,5-bis(1-methylethyl)-phenol;VFNUNYPYULIJSN-UHFFFAOYSA-;CHEBI:138753;AMY16868;EX-A2718;2,5-Bis(1-methylethyl)phenol, 9CI;AKOS024058692;2,5-BIS(1-METHYLETHYL)PHENOL;AC-31575;AS-78349;PROPOFOL IMPURITY D [EP IMPURITY];CS-0154292;D95142;EN300-310457;Q27279642;Z1255450103

Chemical Property of 2,5-Diisopropylphenol

Chemical Property:

• Vapor Pressure: 0.00645mmHg at 25°C
• Melting Point: 118-119 °C
• Refractive Index: 1.512
• Boiling Point: 263 °C at 760 mmHg
• PKA: 10.55±0.10(Predicted)
• Flash Point: 119.9 °C
• PSA: 20.23000
• Density: 0.948 g/cm³
• LogP: 3.63900
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

2,5-Diisopropylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C=C1)C(C)C)O
• Uses: 2,5-Diisopropylphenol (Propofol EP Impurity D) inhibits propofol glucuronidation of propofol (2,6-diisopropylphenol), an anesthetic.

Technology Process of 2,5-Diisopropylphenol

There total 15 articles about 2,5-Diisopropylphenol 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:

2-Ethoxyphenol (94-71-3) → mono-tert-butyl-m-cresol (13037-79-1) + 4-Ethylphenol (123-07-9) + 2,6-di-tert-butylphenol (128-39-2) + 3-ethylphenol (620-17-7) + 2,4-diisopropylphenol (2934-05-6) + Durohydroquinone (527-18-4) + 2,6-diisopropylphenol (2078-54-8) + 2,6-di-tert-butyl-4-ethylphenol (4130-42-1) + 3,5-Di-tert-butylphenol (1138-52-9) + 3,5-diethylphenol (1197-34-8) + 2,5-di-tert-butylphenol (5875-45-6) + 2,5-Diisopropylphenol (35946-91-9) + 2,5-diethyl phenol (876-20-0)

Guidance literature:

With molybdenum(VI) oxide; In ethanol; at 280 ℃; for 4h; Inert atmosphere;

Reference yield:

isopropyl alcohol (67-63-0,8013-70-5) + phenol (108-95-2,27073-41-2) → 2-(1-methylethyl)phenol (88-69-7) + 4-Isopropylphenol (99-89-8) + 2,4-diisopropylphenol (2934-05-6) + 2,6-diisopropylphenol (2078-54-8) + 3-isopropylhydroxybenzene (618-45-1) + 2,5-Diisopropylphenol (35946-91-9)

Guidance literature:

Houdry HA-100 alumina; at 350 ℃; Product distribution; Mechanism; other substrates; other temperatures and concentrations;

DOI:10.1021/jo01310a013

Reference yield:

3-isopropylhydroxybenzene (618-45-1) + isopropyl alcohol (67-63-0,8013-70-5) → 2-(1-methylethyl)phenol (88-69-7) + 2,4-diisopropylphenol (2934-05-6) + 2,4,6-triisopropylphenol (2934-07-8) + 2,5-Diisopropylphenol (35946-91-9)

Guidance literature:

Houdry HA-100 alumina; at 300 ℃; Product distribution; Mechanism;

DOI:10.1021/jo01310a013

upstream raw materials:

2-bromo-1,4-diisopropylbenzene

2,4-diisopropylphenol

3,5-diisopropylphenol

4-Isopropylphenol

Downstream raw materials:

2,5-diisopropylphenyl disulfide

Dimethyl-thiocarbamic acid S-(2,5-diisopropyl-phenyl) ester

2,5-diisopropylthiophenol

3,5-diisopropylphenol

Refernces

• 1、 -. "2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS". . . Retrieved 2016/12/22.
• 2、 Furukawa, Takayuki,Tobisu, Mamoru,Chatani, Naoto. "C-H Functionalization at Sterically Congested Positions by the Platinum-Catalyzed Borylation of Arenes". supporting information. p. 12211 - 12214. Retrieved 2015/10/12.