3-Methoxy-2-methylphenol

Base Information

• Chemical Name: 3-Methoxy-2-methylphenol
• CAS No.: 6971-52-4
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• NSC Number: 66560
• DSSTox Substance ID: DTXSID60290102
• Nikkaji Number: J426.333B
• Wikidata: Q81985645
• Mol file: 6971-52-4.mol

Synonyms:3-Methoxy-2-methylphenol;6971-52-4;Phenol, 3-methoxy-2-methyl-;3-methoxy-2-methyl-phenol;NSC66560;2-methyl-3 methoxyphenol;SCHEMBL21288;3-Methoxy-2-methylphenol #;ghl.PD_Mitscher_leg0.675;2-methyl-3-(methyloxy)phenol;2-METHYL-3-METHOXYPHENOL;DTXSID60290102;3-HYDROXY-2-METHYLANISOLE;2-HYDROXY-6-METHOXYTOLUENE;NSC 66560;NSC-66560;AKOS009315848;MB09432;BP-11518;FT-0703616;EN300-103117

Chemical Property of 3-Methoxy-2-methylphenol

Chemical Property:

• Vapor Pressure: 0.0345mmHg at 25°C
• Boiling Point: 234.5°Cat760mmHg
• Flash Point: 109.1°C
• PSA: 29.46000
• Density: 1.078g/cm³
• LogP: 1.70920
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

99%min ^*data from raw suppliers

3-Methoxy-2-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1OC)O

Technology Process of 3-Methoxy-2-methylphenol

There total 21 articles about 3-Methoxy-2-methylphenol 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: 92.0%

2,6-dimethoxytoluene (5673-07-4) → 3-methoxy-2-methylphenol (6971-52-4)

Guidance literature:

With lithium thioethoxide; In N,N-dimethyl-formamide; at 150 ℃; for 0.333333h; Inert atmosphere; Microwave irradiation;

DOI:10.1055/s-2008-1077949

Reference yield: 83.0%

methanol (67-56-1) + 3-hydroxy-2-methyl-cyclohex-2-enone (32774-63-3) → 3-methoxy-2-methylphenol (6971-52-4)

Guidance literature:

With iodine; for 0.5h; Heating;

DOI:10.1016/0040-4039(91)80801-C

Reference yield: 73.0%

3-Methoxy-2-methyl-6-phenylselanyl-cyclohex-2-enone (81710-24-9) + 3.5-dimethoxyaniline (10272-07-8) → 3-methoxy-2-methylphenol (6971-52-4) + 3,5-Dimethoxy-2-phenylselanyl-phenylamine (81710-26-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; Product distribution; Trapping of C₆H₅SeOH formed during selenoxid elimination with different aromatic compounds.;

DOI:10.1016/S0040-4039(00)97529-4

upstream raw materials:

2-methyl-3-methoxyaniline

methanol

3-hydroxy-2-methyl-cyclohex-2-enone

2,6-dimethoxytoluene

Downstream raw materials:

2-methylbenzene-1,3-diol

2,6-dimethoxytoluene

1-(2-hydroxy-4-methoxy-3-methylphenyl)ethanone

5,6-Dimethoxy-6-methyl-2,4-cyclohexadienon

Refernces

• 1、 -. "Derivatives of m-Guaiacol, Their Preparation and Their Uses". Paragraph 0125; 0141. . Retrieved 2021/11/05.
• 2、 Tao, Yong,Widlicka, Daniel W.,Hill, Paul D.,Couturier, Michel,Young, Gregory R.. "A scalable synthesis of CE-157119 HCl Salt, an SRI/5-HT2A antagonist". . p. 1805 - 1810. Retrieved 2013/01/15.