2-Chloro-3-methoxyphenol

Base Information

• Chemical Name: 2-Chloro-3-methoxyphenol
• CAS No.: 72232-49-6
• Molecular Formula: C7H7ClO2
• Molecular Weight: 158.584
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID70574849
• Wikidata: Q82464023
• Mol file: 72232-49-6.mol

Synonyms:2-CHLORO-3-METHOXYPHENOL;72232-49-6;MFCD08275690;2-Chloro-3-hydroxyanisole;Phenol,2-chloro-3-methoxy-;benzylpropionate;2-chloro-3-methoxy-phenol;SCHEMBL1008486;DTXSID70574849;QGLVWTFUWVTDEQ-UHFFFAOYSA-N;AMY28264;2-Chloro-3-methoxyphenol, AldrichCPR;AKOS006287449;CS-W019076;FS-3114;MB06074;SY045979;A866301;J-508666

Chemical Property of 2-Chloro-3-methoxyphenol

Chemical Property:

• Vapor Pressure: 0.0237mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 241.1 °C at 760 mmHg
• Flash Point: 99.6 °C
• PSA: 29.46000
• Density: 1.28 g/cm³
• LogP: 2.05420
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 158.0134572
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99%, ^*data from raw suppliers

2-Chloro-3-methoxyphenol ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1Cl)O

Technology Process of 2-Chloro-3-methoxyphenol

There total 5 articles about 2-Chloro-3-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: 70.0%

2-chloro-3-methoxy benzaldehyde (54881-49-1) → 2-chloro-3-methoxyphenol (72232-49-6)

Guidance literature:

2-chloro-3-methoxy benzaldehyde; With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 21h;

With sodium hydrogencarbonate; sodium sulfite; In dichloromethane; water;

With hydrogenchloride; sodium hydroxide; triethylamine; more than 3 stages;

Reference yield:

2-chlororesorcinol (6201-65-6) + dimethyl sulfate (77-78-1) → 2-chloro-3-methoxyphenol (72232-49-6)

Guidance literature:

With potassium hydroxide; In water; at 10 - 100 ℃; for 48h;

Reference yield:

meta-hydroxybenzaldehyde (100-83-4) → 2-chloro-3-methoxyphenol (72232-49-6)

Guidance literature:

Multi-step reaction with 3 steps

1: tert-butylhypochlorite; acetic acid / 16 h / 20 °C / Cooling

2: potassium carbonate / N,N-dimethyl-formamide / 18 h / 20 °C

3: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 40 °C

With tert-butylhypochlorite; potassium carbonate; acetic acid; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

2-chloro-3-methoxy benzaldehyde

2-chlororesorcinol

dimethyl sulfate

meta-hydroxybenzaldehyde

Downstream raw materials:

C₁₀H₁₁ClO₄

C₉H₈Cl₂O₃

3-chloro-2-hydroxy-4-methoxybenzaldehyde

Refernces

• 1、 -. "ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE". Paragraph 0411. . Retrieved 2015/11/10.