1-(4-Isopropoxyphenyl)propan-1-one

Base Information

• Chemical Name: 1-(4-Isopropoxyphenyl)propan-1-one
• CAS No.: 35081-48-2
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.25
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID70364141
• Nikkaji Number: J967.825E
• Wikidata: Q82147929
• Mol file: 35081-48-2.mol

Synonyms:1-(4-isopropoxyphenyl)propan-1-one;35081-48-2;1-(4-propan-2-yloxyphenyl)propan-1-one;1-[4-(propan-2-yloxy)phenyl]propan-1-one;4'-Isopropoxypropiophenone;SCHEMBL11099701;DTXSID70364141;1-(4-isopropoxyphenyl)-1-propanone;BBL014149;MFCD02176649;STK412212;AKOS000174016;VS-04205;CS-0314084;3-(4-BROMO-BIPHENYL-4-YL)-BENZOFURAN;N12159;AK-968/15361694

Chemical Property of 1-(4-Isopropoxyphenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.00132mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 297.8°C at 760 mmHg
• Flash Point: 124.9°C
• PSA: 26.30000
• Density: 0.986g/cm³
• LogP: 3.06650
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-Isopropoxyphenyl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC=C(C=C1)OC(C)C

Technology Process of 1-(4-Isopropoxyphenyl)propan-1-one

There total 3 articles about 1-(4-Isopropoxyphenyl)propan-1-one 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: 98.0%

4-Isopropoxy-thiobenzoic acid S-ethyl ester + ethylzinc iodide (999-75-7) → 1-(4-isopropoxyphenyl)propan-1-one (35081-48-2)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; In toluene; for 0.116667h; Ambient temperature;

DOI:10.1016/S0040-4039(98)00456-0

Reference yield:

4-hydroxypropiophenone (70-70-2) → 1-(4-isopropoxyphenyl)propan-1-one (35081-48-2)

Guidance literature:

With potassium carbonate; Heating;

DOI:10.1016/j.bmcl.2007.12.064

Reference yield:

→ 1-(4-isopropoxyphenyl)propan-1-one (35081-48-2)

Guidance literature:

upstream raw materials:

ethylzinc iodide

4-hydroxypropiophenone

Downstream raw materials:

trans-1-(4-Isopropyloxy-phenyl)-propen

2-Bromo-4'-isopropoxypropiophenone

N-(1-(4-isopropoxyphenyl)propylidene)aniline

N-(1-(4-isopropoxyphenyl)propylidene)aniline