5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole

Base Information

• Chemical Name: 5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole
• CAS No.: 117661-72-0
• Molecular Formula: C9H9 Cl O2
• Molecular Weight: 184.61956
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60441697
• Wikidata: Q72454208
• Mol file: 117661-72-0.mol

Synonyms:5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole;117661-72-0;5-(chloromethyl)-6-methyl-1,3-benzodioxole;5-chloromethyl-6-methyl-benzo[1,3]dioxole;(3,4-methylenedioxy)-6-methylbenzyl chloride;5-chloromethyl-6-methyl-1,3-benzodioxole;3,4-Methylenedioxy-6-methylbenzyl chloride;SCHEMBL3663402;DTXSID60441697;POLAVUVVBKLQNP-UHFFFAOYSA-N;CS-M1003;AKOS006372298;5-chloromethyl-6-methylbenzo[d][1,3]dioxole;A893316

Chemical Property of 5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole

Chemical Property:

• Boiling Point: 280.7±19.0℃ (760 Torr)
• Flash Point: 122.4±16.7℃
• PSA: 18.46000
• Density: 1.276±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.46250
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1CCl)OCO2

Technology Process of 5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole

There total 7 articles about 5-(Chloromethyl)-6-methylbenzo[d][1,3]dioxole 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: 80.0%

5-methyl-1,3-benzodioxole (7145-99-5) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → (3,4-methylenedioxy)-6-methylbenzyl chloride (117661-72-0)

Guidance literature:

With hydrogenchloride; tetrabutylammomium bromide; In dichloromethane; water;

Reference yield: 80.0%

5-methyl-1,3-benzodioxole (7145-99-5) → (3,4-methylenedioxy)-6-methylbenzyl chloride (117661-72-0)

Guidance literature:

With hydrogenchloride; formaldehyd; In hexane; dichloromethane; water;

Reference yield: 80.0%

5-methyl-1,3-benzodioxole (7145-99-5) → 4-chloro-3-methyl-5-(2-(2-(6-methylbenzo[d][1,3]dioxol-5-yl)acetyl-3-thienylsulfonamido) isoxazole + (3,4-methylenedioxy)-6-methylbenzyl chloride (117661-72-0)

Guidance literature:

With hydrogenchloride; formaldehyd; tetrabutylammomium bromide; In hexane; dichloromethane; water;

upstream raw materials:

5-methyl-1,3-benzodioxole

chloromethyl methyl ether

formaldehyd

dichloromethane

Downstream raw materials:

sitaxentan