1-(4-Isopropoxyphenyl)propan-2-one

Base Information

• Chemical Name: 1-(4-Isopropoxyphenyl)propan-2-one
• CAS No.: 84023-37-0
• Molecular Formula: C12H16O2
• Molecular Weight: 192.25400
• DSSTox Substance ID: DTXSID50358846
• Wikidata: Q82139726
• ChEMBL ID: CHEMBL1301344
• Mol file: 84023-37-0.mol

Synonyms:1-(4-isopropoxyphenyl)propan-2-one;84023-37-0;1-(4-propan-2-yloxyphenyl)propan-2-one;1-[4-(propan-2-yloxy)phenyl]propan-2-one;HMS2798L24;MLS000776003;CHEMBL1301344;SCHEMBL10839377;DTXSID50358846;HBMPUJYWIFQALP-UHFFFAOYSA-N;BBL028636;STL372764;AKOS006274740;1-(4-Isopropoxy-phenyl)-propan-2-one;SMR000440069;VS-08883;CS-0274568;EN300-1828392;A1-06872

Chemical Property of 1-(4-Isopropoxyphenyl)propan-2-one

Chemical Property:

• Boiling Point: 110-111 °C(Press: 1 Torr)
• PSA: 26.30000
• Density: 1.1377 g/cm3
• LogP: 2.60530
• XLogP3: 2.3
• 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:

99% ^*data from raw suppliers

1-(4-Isopropoxyphenyl)propan-2-one 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Isopropoxyphenyl)propan-2-one

There total 4 articles about 1-(4-Isopropoxyphenyl)propan-2-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:

1-(4-isopropoxyphenyl)-2-nitroprop1-ene (84023-34-7) + iron (7439-89-6) → methyl p-isopropoxybenzyl ketone (84023-37-0)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran;

Reference yield:

4-isopropoxybenzaldehyde (18962-05-5) → methyl p-isopropoxybenzyl ketone (84023-37-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium ethoxide / benzene / 5 h / 60 - 65 °C

2: aq.NaOH / 3 h / 75 - 80 °C

3: 3 h / 200 - 220 °C

With sodium hydroxide; sodium ethanolate; In benzene;

Reference yield:

2-methyl-3-(p-isopropoxyphenyl)-2,3-epoxypropionic acid → methyl p-isopropoxybenzyl ketone (84023-37-0)

Guidance literature:

at 200 - 220 ℃; for 3h; Yield given;

upstream raw materials:

ethyl ester of the 2-methyl-3-(p-isopropoxyphenyl)-2,3-epoxypropionic acid

4-isopropoxybenzaldehyde

1-(4-isopropoxyphenyl)-2-nitroprop1-ene

iron

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