1-Chloro-2,3,4-trimethoxybenzene

Base Information

• Chemical Name: 1-Chloro-2,3,4-trimethoxybenzene
• CAS No.: 2675-80-1
• Molecular Formula: C9H11 Cl O3
• Molecular Weight: 202.638
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID90949555
• Nikkaji Number: J101.577J
• Wikidata: Q82927471
• Mol file: 2675-80-1.mol

Synonyms:1-Chloro-2,3,4-trimethoxybenzene;Chlorotrimethoxybenzene;54625-53-5;Benzene, chlorotrimethoxy-;Benzene, 1-chloro-2,3,4-trimethoxy-;77241-44-2;Benzene,1-chloro-2,3,4-trimethoxy-;2,3,4-Trimethoxychlorobenzene;SCHEMBL9417290;DTXSID90949555;LIHWMLGRCUKVLB-UHFFFAOYSA-N;1-Chloro-2,3,4-trimethoxybenzene #;AKOS020299849

Chemical Property of 1-Chloro-2,3,4-trimethoxybenzene

Chemical Property:

• Vapor Pressure: 0.0311mmHg at 25°C
• Melting Point: 72 °C(Solv: methanol (67-56-1); water (7732-18-5))
• Boiling Point: 252.3°C at 760 mmHg
• Flash Point: 92.7°C
• PSA: 27.69000
• Density: 1.168g/cm³
• LogP: 2.36580
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.0396719
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)Cl)OC)OC

Technology Process of 1-Chloro-2,3,4-trimethoxybenzene

There total 3 articles about 1-Chloro-2,3,4-trimethoxybenzene 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: 67.0%

3,4,5-Trimethoxyaniline (24313-88-0) → 1,2,3-trimethoxy-5-chlorobenzene (2675-80-1)

Guidance literature:

3,4,5-Trimethoxyaniline; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃;

With hydrogenchloride; copper(l) chloride; In water; at 60 ℃; Cooling with ice;

Reference yield:

→ 1,2,3-trimethoxy-5-chlorobenzene (2675-80-1)

Guidance literature:

With copper chloride;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 5-chloro-3-methoxycatechol (4085-06-7) → 1,2,3-trimethoxy-5-chlorobenzene (2675-80-1)

Guidance literature:

In diethyl ether;

upstream raw materials:

diazomethane

5-chloro-3-methoxycatechol

3,4,5-Trimethoxyaniline

Downstream raw materials:

1,2,3-trimethoxy-5-(4-methoxybenzyl)benzene

1-(3,4,5-trimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline

7-ethoxy-6-methoxy-1-(3,4,5-trimethoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline

1-(3,4,5-trimethoxyphenyl)-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline

Refernces

• 1、 Protti, Stefano,Fagnoni, Maurizio,Albini, Angelo. "Expeditious synthesis of bioactive allylphenol constituents of the genus Piper through a metal-free photoallylation procedure". . p. 2868 - 2871. Retrieved 2007/10/03.