5-(Iodomethyl)-1,3-benzodioxole

Base Information

• Chemical Name: 5-(Iodomethyl)-1,3-benzodioxole
• CAS No.: 157766-09-1
• Molecular Formula: C8H7IO2
• Molecular Weight: 262.047
• European Community (EC) Number: 844-250-6
• Nikkaji Number: J832.239B
• Mol file: 157766-09-1.mol

Synonyms:5-(iodomethyl)-1,3-benzodioxole;157766-09-1;3,4-Methylenedioxybenzyl iodide;5-(Iodomethyl)-1,3-dioxaindane;5-(Iodomethyl)benzo[d][1,3]dioxole;SCHEMBL4579616;WDXDADIIMNGABI-UHFFFAOYSA-N;AKOS014116301;CS-0253229;EN300-6286079

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

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 261.94908
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 1 articles about 5-(Iodomethyl)-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: 71.0%

5-(2-Methoxy-ethoxymethoxymethyl)-benzo[1,3]dioxole (91475-97-7) → piperonol (495-76-1) + 5-(iodomethyl)benzo[d][1,3]dioxole (157766-09-1)

Guidance literature:

With chloro-trimethyl-silane; sodium iodide; In acetonitrile; at -20 ℃; for 2.5h;

DOI:10.1016/S0040-4039(01)80178-7

Reference yield: 51.0%

5-(iodomethyl)benzo[d][1,3]dioxole (157766-09-1) + methyl 2-(acetoxy(4-methylphenyl)methyl)acrylate (143165-01-9) → methyl (2E)-4-(1,3-benzodioxol-5-yl)-2-(4-methylbenzylidene)butanoate (1026729-44-1)

Guidance literature:

5-(iodomethyl)benzo[d][1,3]dioxole; methyl 2-(acetoxy(4-methylphenyl)methyl)acrylate; In tetrahydrofuran; at 20 ℃;

With sulfuric acid; In tetrahydrofuran; at 20 ℃; Further stages.;

DOI:10.1021/jo800049p

Reference yield:

5-(iodomethyl)benzo[d][1,3]dioxole (157766-09-1) + 3-(2-methoxy-1-phenyl-ethyl)-oxazolidine-4-carboxylic acid tert-butyl ester (271771-97-2) → (S)-4-Benzo[1,3]dioxol-5-ylmethyl-3-((R)-2-methoxy-1-phenyl-ethyl)-oxazolidine-4-carboxylic acid tert-butyl ester + (R)-4-Benzo[1,3]dioxol-5-ylmethyl-3-((R)-2-methoxy-1-phenyl-ethyl)-oxazolidine-4-carboxylic acid tert-butyl ester (342043-21-4)

Guidance literature:

3-(2-methoxy-1-phenyl-ethyl)-oxazolidine-4-carboxylic acid tert-butyl ester; With potassium hexamethylsilazane; In tetrahydrofuran; at -78 ℃; for 0.5h;

5-(iodomethyl)benzo[d][1,3]dioxole; In tetrahydrofuran; at -78 ℃; for 3h;

DOI:10.1016/S0040-4039(01)00075-2

upstream raw materials:

5-(2-Methoxy-ethoxymethoxymethyl)-benzo[1,3]dioxole

Downstream raw materials:

(-)-(3S,4R,5R)-3-(3',4'-methylenedioxybenzyl)-4-<3'',4''-dimethoxy-α,α-bis(phenylthio)benzyl>-5-(1-menthyloxy)butyrolactone

(R)-4-Benzo[1,3]dioxol-5-ylmethyl-3-((R)-2-methoxy-1-phenyl-ethyl)-oxazolidine-4-carboxylic acid tert-butyl ester

(R)-7-Hydroxymethyl-6-((R)-2-methoxy-1-phenyl-ethyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-7-carboxylic acid

meridinol