3,4-Dimethoxybenzyl chloride

Base Information

• Chemical Name: 3,4-Dimethoxybenzyl chloride
• CAS No.: 7306-46-9
• Molecular Formula: C9H11ClO2
• Molecular Weight: 186.638
• Hs Code.: 2909309090
• European Community (EC) Number: 230-756-9
• DSSTox Substance ID: DTXSID00223338
• Nikkaji Number: J15.028B
• Wikidata: Q72467742
• Mol file: 7306-46-9.mol

Synonyms:3,4-dimethoxybenzyl chloride;4-(chloromethyl)-1,2-dimethoxy benzene

Chemical Property of 3,4-Dimethoxybenzyl chloride

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0.0195mmHg at 25°C
• Melting Point: 50-53 °C(lit.)
• Refractive Index: 1.509
• Boiling Point: 260.8 °C at 760 mmHg
• Flash Point: 98.6 °C
• PSA: 18.46000
• Density: 1.13 g/cm³
• LogP: 2.44260
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 186.0447573
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

3,4-DimethoxybenzylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dimethoxybenzyl chloride

There total 18 articles about 3,4-Dimethoxybenzyl chloride 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: 100.0%

(3,4-dimethoxyphenyl)methanol (93-03-8) → 4-chloromethyl-1,2-dimethoxy-benzene (7306-46-9)

Guidance literature:

With thionyl chloride;

Reference yield:

laudanosine (1699-51-0,20412-65-1) → 1,2-dimethoxy-4-methylbenzene (494-99-5) + 3,4-dimethoxy-benzaldehyde (120-14-9) + 4-chloromethyl-1,2-dimethoxy-benzene (7306-46-9)

Guidance literature:

With tris-(4-bromophenyl)aminium hexachloroantimonate; Mechanism; further substrates;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,2-dimethoxybenzene (91-16-7) → 4-chloromethyl-1,2-dimethoxy-benzene (7306-46-9)

Guidance literature:

With hydrogenchloride; phosphoric acid; acetic acid; mercury; unter Einleiten von HCl;

upstream raw materials:

formaldehyd

1,2-dimethoxybenzene

chloromethyl methyl ether

acetic acid

Downstream raw materials:

N-(3,4-dimethoxybenzyl)pyrrolidine

1-veratryl-hexahydro-azepine

3,4-dimethoxybenzylamine

N,N-dimethyl-3,4-dimethoxybenzylamine

Refernces

• 1、 -. "Triazole derivative as well as preparation method and application thereof". Paragraph 0081; 0088-0089; 0091. . Retrieved 2020/06/09.
• 2、 Chan, Sock Ying,Loh, Yean Chun,Oo, Chuan Wei,Yam, Mun Fei. "In vitro study and structure-activity relationship analysis of stilbenoid derivatives as powerful vasorelaxants: Discovery of new lead compound". . . Retrieved 2020/10/12.