5-(Bromomethyl)-1,3-benzodioxole

Base Information

• Chemical Name: 5-(Bromomethyl)-1,3-benzodioxole
• CAS No.: 2606-51-1
• Molecular Formula: C8H7 Br O2
• Molecular Weight: 215.046
• Hs Code.: 2932999099
• European Community (EC) Number: 662-887-6
• DSSTox Substance ID: DTXSID00180699
• Nikkaji Number: J808.149B
• Wikidata: Q83051295
• Mol file: 2606-51-1.mol

Synonyms:2606-51-1;5-(Bromomethyl)benzo[d][1,3]dioxole;5-(Bromomethyl)-1,3-benzodioxole;Piperonyl bromide;1,3-Benzodioxole, 5-(bromomethyl)-;5-(BROMOMETHYL)-2H-1,3-BENZODIOXOLE;Piperonylbromid;3,4-Methylenedioxybenzyl bromide;SCHEMBL189831;DTXSID00180699;3,4-methylenedioxy benzyl bromide;5-Bromomethyl-benzo[1,3]dioxole;UNYHRXLMTSXVIB-UHFFFAOYSA-N;5-(bromomethyl)-1,3-dioxaindane;3,4-(methylenedioxy)benzyl bromide;CAA60651;AKOS009317461;AS-77045;5-(Bromomethyl)-1,3-benzodioxole, 96%;FT-0756309;D94630;EN300-1995959;A818158

Chemical Property of 5-(Bromomethyl)-1,3-benzodioxole

Chemical Property:

• Vapor Pressure: 0.0117mmHg at 25°C
• Melting Point: 45-47 °C
• Boiling Point: 269.9°Cat760mmHg
• Flash Point: 126.2°C
• PSA: 18.46000
• Density: 1.652g/cm³
• LogP: 2.31020
• Storage Temp.: ?20°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 213.96294
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-(bromomethyl)benzo[d][1,3]dioxole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-43-52
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)CBr

Technology Process of 5-(Bromomethyl)-1,3-benzodioxole

There total 10 articles about 5-(Bromomethyl)-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: 100.0%

piperonol (495-76-1) → 3,4-Methylenedioxybenzyl bromide (2606-51-1)

Guidance literature:

With phosphorus tribromide; In benzene; at 20 ℃;

DOI:10.1016/j.jsbmb.2013.02.009

Reference yield: 93.0%

piperonol (495-76-1) → 3,4-Methylenedioxybenzyl bromide (2606-51-1)

Guidance literature:

In benzene; at 5 - 20 ℃;

DOI:10.1021/jo981039d

Reference yield: 90.0%

5-methyl-1,3-benzodioxole (7145-99-5) → 3,4-Methylenedioxybenzyl bromide (2606-51-1)

Guidance literature:

With bromine; dibenzoyl peroxide;

upstream raw materials:

piperonol

piperonyl acetate

hydrogen bromide

2,2,6,6-tetramethylpiperidinyl-lithium

Downstream raw materials:

(-)-5-{[(3R,4R)-4-(3,4-dimethoxybenzyl)-tetrahydro-3-furanyl]methyl}-1,3-benzodioxole

(+)-5-{[(3S,4R)-4-[(3,4-dimethoxyphenyl)methyl]tetrahydro-3-furanyl]methyl}-1,3-benzodioxole

5-[(2S,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,3-benzodioxole

C₃₄H₃₄O₁₀S₂

Refernces

• 1、 Corrêa, Bianca K.,Silva, Tamiris R.C.,Raminelli, Cristiano. "Total syntheses of (+)-bernumidine and its unnatural enantiomer". . p. 3583 - 3585. Retrieved 2018.
• 2、 Satish, Sohal,Chitral, Rohan,Kori, Amitkumar,Sharma, Basantkumar,Puttur, Jayashree,Khan, Afreen A.,Desle, Deepali,Raikuvar, Kavita,Korkegian, Aaron,Martis, Elvis A. F.,Iyer, Krishna R.,Coutinho, Evans C.,Parish, Tanya,Nandan, Santosh. "Design, synthesis and SAR of antitubercular benzylpiperazine ureas". . p. 73 - 96. Retrieved 2021/01/04.
• 3、 Chahboun, Rachid,Botubol-Ares, José Manuel,Durán-Pe?a, María Jesús,Jiménez, Fermín,Alvarez-Manzaneda, Ramón,Alvarez-Manzaneda, Enrique. "Deconjugative α-Alkylation of Cyclohexenecarboxaldehydes: An Access to Diverse Terpenoids". . p. 8742 - 8754. Retrieved 2021/07/19.