5-(2-Bromopropyl)-1,3-benzodioxole

Base Information

• Chemical Name: 5-(2-Bromopropyl)-1,3-benzodioxole
• CAS No.: 5463-71-8
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.1
• Hs Code.: 2932999099
• NSC Number: 15658
• Mol file: 5463-71-8.mol

Synonyms:5-(2-bromopropyl)-1,3-benzodioxole;5463-71-8;5-(2-Bromopropyl)benzo[d][1,3]dioxole;NSC15658;1,3-Benzodioxole, 5-(2-bromopropyl)-;AI3-20997;5-(2-bromopropyl)-1,3-dioxaindane;NSC 15658;NSC-15658;5-(2-BROMOPROPYL)-2H-1,3-BENZODIOXOLE;EN300-1997111

Chemical Property of 5-(2-Bromopropyl)-1,3-benzodioxole

Chemical Property:

• Vapor Pressure: 0.00452mmHg at 25°C
• Boiling Point: 286.5°C at 760 mmHg
• Flash Point: 124.3°C
• PSA: 18.46000
• Density: 1.486g/cm³
• LogP: 2.74120
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

99.9% ^*data from raw suppliers

BROMOSAFFROLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC2=C(C=C1)OCO2)Br

Technology Process of 5-(2-Bromopropyl)-1,3-benzodioxole

There total 4 articles about 5-(2-Bromopropyl)-1,3-benzodioxole 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: 94.0%

diethyl 4-(1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate → 3-<3,4-(methylenedioxy)-phenyl>-2-bromopropane (5463-71-8)

Guidance literature:

With dipotassium peroxodisulfate; tris(2,2′-bipyridyl)dichlororuthenium(II) hexahydrate; sodium bromide; In water; acetonitrile; at 20 ℃; for 24h; regioselective reaction; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.9b01337

Reference yield:

1-allyl-3,4-methylenedioxybenzene (94-59-7) → 3-<3,4-(methylenedioxy)-phenyl>-2-bromopropane (5463-71-8)

Guidance literature:

With water; hydrogen bromide;

DOI:10.1021/ja01301a067 DOI:10.1021/ja01198a513

Reference yield:

1-allyl-3,4-methylenedioxybenzene (94-59-7) → 3-<3,4-(methylenedioxy)-phenyl>-2-bromopropane (5463-71-8) + 3-<3,4-(methylenedioxy)phenyl>-1-bromopropane (28437-31-2)

Guidance literature:

With borane; bromine; Yield given. Multistep reaction. Yields of byproduct given; 1.) 0 deg C, 1 h, THF, 2.) 0 deg C, 30 min, THF, H₂O;

DOI:10.1021/jo00328a025

upstream raw materials:

1-allyl-3,4-methylenedioxybenzene

Downstream raw materials:

1-(1,3-benzodioxol-5-yl)-2-propanone

Refernces

• 1、 Liang, Shengzong,Kumon, Tatsuya,Angnes, Ricardo A.,Sanchez, Melissa,Xu, Bo,Hammond, Gerald B.. "Synthesis of Alkyl Halides from Aldehydes via Deformylative Halogenation". supporting information. p. 3848 - 3854. Retrieved 2019/05/24.