1,3-Benzodioxol-5-ylmethyl(methyl)ammonium

Base Information

• Chemical Name: 1,3-Benzodioxol-5-ylmethyl(methyl)ammonium
• CAS No.: 15205-27-3
• Molecular Formula: C9H11 N O2
• Molecular Weight: 165.192
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50934407
• Wikidata: Q82910295
• Mol file: 15205-27-3.mol

Synonyms:DTXSID50934407;1,3-benzodioxol-5-ylmethyl(methyl)ammonium;A809251

Chemical Property of 1,3-Benzodioxol-5-ylmethyl(methyl)ammonium

Chemical Property:

• Vapor Pressure: 0.028mmHg at 25°C
• Boiling Point: 245.9°Cat760mmHg
• Flash Point: 93.3°C
• PSA: 30.49000
• Density: 1.161g/cm³
• LogP: 1.52560
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.086803626
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

(1,3-Benzodioxol-5-ylmethyl)methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH2+]CC1=CC2=C(C=C1)OCO2

Technology Process of 1,3-Benzodioxol-5-ylmethyl(methyl)ammonium

There total 1 articles about 1,3-Benzodioxol-5-ylmethyl(methyl)ammonium 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: 66.0%

methanol (67-56-1) + 5-(azidomethyl)benzo[d][1,3]dioxole (214783-17-2) → 1,3-benzodioxol-5-ylmethyl amine (2620-50-0) + N-methylpiperonylamine (15205-27-3) + 1-(N,N-dimethylaminomethyl)-3,4-(methylenedioxy)benzene (58995-64-5)

Guidance literature:

With trans-RuCl(phenpyra-Me)(PPh₃)₂PF₆; sodium hydroxide; at 125 ℃; for 3h; Sealed tube; Inert atmosphere; Glovebox;

DOI:10.1039/c8gc00863a

Reference yield: 65.0%

N-methylpiperonylamine (15205-27-3) + (E)-1-(3-bromoprop-1-en-1-yl)-4-(trifluoromethyl)benzene (762247-01-8) → (E)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-N-methyl-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-amine hydrochloride

Guidance literature:

N-methylpiperonylamine; (E)-1-(3-bromoprop-1-en-1-yl)-4-(trifluoromethyl)benzene; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

With hydrogenchloride; In ethyl acetate;

DOI:10.1016/j.ejmech.2017.12.090

Reference yield: 62.0%

N-methylpiperonylamine (15205-27-3) + (E)-methyl 4-(3-bromoprop-1-en-1-yl)benzoate (117389-63-6) → (E)-methyl 4-(3-((benzo[d][1,3]dioxol-5-ylmethyl)(methyl)amino)prop-1-en-1-yl)benzoate hydrochloride

Guidance literature:

N-methylpiperonylamine; (E)-methyl 4-(3-bromoprop-1-en-1-yl)benzoate; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

With hydrogenchloride; In ethyl acetate;

DOI:10.1016/j.ejmech.2017.12.090

upstream raw materials:

methanol

5-(azidomethyl)benzo[d][1,3]dioxole

Downstream raw materials:

2-(methyl-piperonyl-amino)-1-phenyl-ethanol

2-(methyl-piperonyl-amino)-1-phenyl-ethanone

N-Benzo[1,3]dioxol-5-ylmethyl-N-methyl-2-(4-nitro-phenoxy)-acetamide

6-methyl-8-phenyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

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