2-Isopropyl-4-methoxyphenol

Base Information

• Chemical Name: 2-Isopropyl-4-methoxyphenol
• CAS No.: 13522-86-6
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID20593146
• Nikkaji Number: J3.130.445H
• Wikidata: Q82487567
• Mol file: 13522-86-6.mol

Synonyms:2-ISOPROPYL-4-METHOXYPHENOL;13522-86-6;4-methoxy-2-propan-2-ylphenol;PHENOL, 4-METHOXY-2-(1-METHYLETHYL)-;2-isopropyl-4-methoxy-phenol;MFCD07787576;4-Methoxy-2-(1-methylethyl)phenol;Phenol,4-methoxy-2-(1-methylethyl)-;4-METHOXY-2-(PROPAN-2-YL)PHENOL;3-Isopropyl-4-hydroxy-anisol;SCHEMBL1494382;DTXSID20593146;PLMALMMKIARHRN-UHFFFAOYSA-N;AKOS006285702;MB05105;SY023037;CS-0316513;F50793;A806904

Chemical Property of 2-Isopropyl-4-methoxyphenol

Chemical Property:

• Boiling Point: 263 °C at 760 mmHg
• PKA: 10.97±0.18(Predicted)
• Flash Point: 113.6 °C
• PSA: 29.46000
• Density: 1.026 g/cm³
• LogP: 2.52420
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

2-Isopropyl-4-methoxyphenol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Isopropyl-4-methoxyphenol

There total 14 articles about 2-Isopropyl-4-methoxyphenol 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: 97.0%

2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-phenol (15000-00-7) → 2-iso-propyl-4-methoxyphenol (13522-86-6)

Guidance literature:

With ammonium formate; palladium 10% on activated carbon; In water; acetic acid; at 100 ℃; for 1h;

Reference yield: 95.0%

4-bromo-2-isopropylphenol hemi-DABCO → 2-iso-propyl-4-methoxyphenol (13522-86-6)

Guidance literature:

With sodium methylate; copper(I) bromide; In methanol; N,N-dimethyl-formamide; at 88 ℃; Inert atmosphere; Large scale;

DOI:10.1021/acs.oprd.0c00241

Reference yield: 38.0%

methanol (67-56-1) + 2-(1-methylethyl)phenol (88-69-7) → 2-iso-propyl-4-methoxyphenol (13522-86-6)

Guidance literature:

methanol; 2-(1-methylethyl)phenol; With [bis(acetoxy)iodo]benzene; at 0 - 20 ℃; for 0.533333h; Inert atmosphere;

With zinc; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c6ob00073h

upstream raw materials:

2-isopropylhydroquinone

dimethyl sulfate

2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-phenol

1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

Downstream raw materials:

2-(2-isopropyl-4-methoxyphenoxy)acetonitrile

(2-isopropyl-4-methoxy-5-nitro-phenoxy)-acetonitrile

4-chloro-N-[5-(2,4-diamino-pyrimidin-5-yloxy)-4-isopropyl-2-methoxy-phenyl]butyramide

5-(2-isopropyl-5-isothiocyanato-4-methoxy-phenoxy)-pyrimidine-2,4-diamine

Refernces

• 1、 Peng, Feng,Humphrey, Guy R.,Maloney, Kevin M.,Lehnherr, Dan,Weisel, Mark,Lévesque, Francois,Naber, John R.,Brunskill, Andrew P.J.,Larpent, Patrick,Zhang, Si-Wei,Lee, Alfred Y.,Arvary, Rebecca A.,Lee, Claire H.,Bishara, Daniel,Narsimhan, Karthik,Sirota, Eric,Whittington, Michael. "Development of a green and sustainable manufacturing process for gefapixant citrate (MK-7264) Part 2: Development of a robust process for phenol synthesis". . p. 2453 - 2461. Retrieved 2020/11/18.
• 2、 -. "METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS". Paragraph 189; 191. . Retrieved 2016/01/25.