1,3-Diisopropoxybenzene

Base Information

• Chemical Name: 1,3-Diisopropoxybenzene
• CAS No.: 79128-08-8
• Molecular Formula: C12H18 O2
• Molecular Weight: 194.274
• European Community (EC) Number: 625-921-0
• DSSTox Substance ID: DTXSID50450697
• Nikkaji Number: J539.807J
• Wikidata: Q82270500
• Mol file: 79128-08-8.mol

Synonyms:1,3-Diisopropoxybenzene;79128-08-8;1,3-di(propan-2-yloxy)benzene;1,3-DIISOPROPOXYBENZENE, 97%;MFCD07784412;SCHEMBL2968363;1,3-bis(propan-2-yloxy)benzene;DTXSID50450697;AKOS025295764;AB89844;1,3-Di(propan-2-yloxy)benzene, 95%;DS-12368;SY059810;CS-0154156;F10183;A864912

Chemical Property of 1,3-Diisopropoxybenzene

Chemical Property:

• Vapor Pressure: 0.017mmHg at 25°C
• Refractive Index: n20/D 1.495
• Boiling Point: 89.5-95 °C/3 mmHg
• Flash Point: 110 °C
• Density: 0.964 g/mL at 25 °C
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 138

Purity/Quality:

98% ^*data from raw suppliers

1,3-Diisopropoxybenzene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 36-51/53
• Safety Statements: 26-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC(=CC=C1)OC(C)C

Technology Process of 1,3-Diisopropoxybenzene

There total 5 articles about 1,3-Diisopropoxybenzene 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: 96.0%

isopropyl bromide (75-26-3) + recorcinol (108-46-3) → 1,3-diisopropoxybenzene (79128-08-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.201711990

Reference yield:

2-iodo-propane (75-30-9) + recorcinol (108-46-3) → 1,3-diisopropoxybenzene (79128-08-8)

Guidance literature:

With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 90 - 130 ℃; for 13h;

Reference yield:

3-Ethoxycyclohex-2-en-1-one (5323-87-5) + vanadyl dichloride isopropoxide (1636-01-7) → 1,3-diisopropoxybenzene (79128-08-8) + 1-Ethoxy-3-isopropoxybenzene (123507-48-2)

Guidance literature:

With oxygen; In isopropyl alcohol; at 80 ℃; for 1h;

DOI:10.1021/jo00288a065

upstream raw materials:

isopropyl bromide

recorcinol

isopropyl chloride

3-Ethoxycyclohex-2-en-1-one

Downstream raw materials:

2,4-diisopropoxybenzene-1-carboaldehyde

1,5-diisopropoxy-2,4-dinitrobenzene

2,6-bis(1-methylethoxy)phenol

Refernces

• 1、 -. "HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF". Paragraph 00355. . Retrieved 2020/03/02.
• 2、 Basak, Tymoteusz,Grudzień, Krzysztof,Barbasiewicz, Micha?. "Remarkable Ability of the Benzylidene Ligand To Control Initiation of Hoveyda–Grubbs Metathesis Catalysts". supporting information. p. 3513 - 3523. Retrieved 2016/07/29.