4-Isopropoxyphenol

Base Information

• Chemical Name: 4-Isopropoxyphenol
• CAS No.: 7495-77-4
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2909500000
• European Community (EC) Number: 231-346-2
• NSC Number: 407767
• UNII: NKT4VD4W9L
• DSSTox Substance ID: DTXSID8064725
• Nikkaji Number: J307.841H
• Wikidata: Q81991775
• ChEMBL ID: CHEMBL457922
• Mol file: 7495-77-4.mol

Synonyms:4-Isopropoxyphenol;7495-77-4;Phenol, 4-(1-methylethoxy)-;4-propan-2-yloxyphenol;4-(propan-2-yloxy)phenol;Phenol, p-isopropoxy-;p-Isopropoxyphenol;Isopropyl p-hydroxyphenyl ether;4-isopropoxy-phenol;NKT4VD4W9L;EINECS 231-346-2;NSC 407767;NSC-407767;AI3-19942;4-isopropyloxyphenol;NSC407767;UNII-NKT4VD4W9L;SCHEMBL28485;PHENOL, 4-ISOPROPOXY-;4-Isopropoxyphenol, AldrichCPR;CHEMBL457922;DTXSID8064725;AMY4793;MFCD08703155;AKOS009316801;MB06553;AS-59202;CS-0000201;EN300-80010;J-515594

Chemical Property of 4-Isopropoxyphenol

Chemical Property:

• Vapor Pressure: 0.0109mmHg at 25°C
• Refractive Index: 1.518
• Boiling Point: 254.2 °C at 760 mmHg
• Flash Point: 118.2 °C
• PSA: 29.46000
• Density: 1.047 g/cm³
• LogP: 2.17940
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

4-Isopropoxyphenol 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Isopropoxyphenol

There total 15 articles about 4-Isopropoxyphenol 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: 95.0%

2-iodo-propane (75-30-9) + p-Isopropoxyphenyl methyl ether (20744-02-9) → 4-isopropoxyphenol (7495-77-4)

Guidance literature:

With sodium isopropanethiolate; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 100 ℃;

DOI:10.1016/0040-4020(82)80078-1

Reference yield: 93.0%

p-Isopropoxyphenyl methyl ether (20744-02-9) → 4-isopropoxyphenol (7495-77-4)

Guidance literature:

With hydrogenchloride; sodium thiomethoxide; 1.) DMF, 160 deg C, 2.5 h;

DOI:10.1055/s-1983-30501

Reference yield: 68.0%

isopropyl alcohol (67-63-0,8013-70-5) + p-benzoquinone (106-51-4) → 4-isopropoxyphenol (7495-77-4)

Guidance literature:

With Amberlyst-15; for 5h; Reflux;

DOI:10.1016/j.tetlet.2013.10.119

upstream raw materials:

2-iodo-propane

p-Isopropoxyphenyl methyl ether

1-Isopropoxy-4-(1-phenyl-ethyl)-benzene

hydroquinone

Downstream raw materials:

4-(isopropoxy)aniline

4-methoxy-aniline

4-methoxynitrosobenzene

1-isopropoxy-4-nitrosobenzene

Refernces

• 1、 -. "Cycloalkyl-substituted mesyl benzamide derivatives, and preparation method and medical application thereof". Paragraph 0122; 0123; 0124. . Retrieved 2017/08/25.
• 2、 D'Amato, Erica M.,Neumann, Constanze N.,Ritter, Tobias. "Selective Aromatic C-H Hydroxylation Enabled by η6-Coordination to Iridium(III)". supporting information. p. 4626 - 4631. Retrieved 2015/10/06.