6-Iodobenzo[d][1,3]dioxol-5-amine

Base Information

• Chemical Name: 6-Iodobenzo[d][1,3]dioxol-5-amine
• CAS No.: 1000802-34-5
• Molecular Formula: C7H6INO2
• Molecular Weight: 263.03
• Hs Code.: 2932990090
• DSSTox Substance ID: DTXSID70705414
• Wikidata: Q82638271
• Mol file: 1000802-34-5.mol

Synonyms:6-iodobenzo[d][1,3]dioxol-5-amine;1000802-34-5;6-iodo-1,3-benzodioxol-5-amine;6-Iodo-benzo[1,3]dioxol-5-ylamine;MFCD23728743;1,3-Benzodioxol-5-aMine, 6-iodo-;5-Amino-6-iodo-1,3-benzodioxole;SCHEMBL1743405;DTXSID70705414;QJMNGYVZGVGPQH-UHFFFAOYSA-N;AMY16290;6-Iodo-2H-1,3-benzodioxol-5-amine;AKOS016012850;DS-5504;SY284299;CS-0041325;Y11139

Chemical Property of 6-Iodobenzo[d][1,3]dioxol-5-amine

Chemical Property:

• PSA: 44.48000
• LogP: 2.18330
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 262.94433
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

6-Iodobenzo[d][1,3]dioxol-5-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)N)I

Technology Process of 6-Iodobenzo[d][1,3]dioxol-5-amine

There total 3 articles about 6-Iodobenzo[d][1,3]dioxol-5-amine 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: 98.0%

N-(6-iodobenzo[d][1,3]dioxol-5-yl)acetamide (1000802-33-4) → 6-iodobenzo[d][1,3]dioxol-5-amine (1000802-34-5)

Guidance literature:

With sodium hydroxide; ethanol; water; for 4h; Heating / reflux;

Reference yield: 87.0%

benzo[1,3]dioxolo-5-ylamine (14268-66-7) → 6-iodobenzo[d][1,3]dioxol-5-amine (1000802-34-5)

Guidance literature:

With iodine; sodium hydrogencarbonate; In dichloromethane; water; for 12h; Sealed tube; Inert atmosphere;

DOI:10.1002/chem.202003003

Reference yield:

3,4-methylenedioxyacetanilide (13067-19-1) → 6-iodobenzo[d][1,3]dioxol-5-amine (1000802-34-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Iodine monochloride; acetic acid / dichloromethane / 20 °C

2: sodium hydroxide; water / ethanol / Reflux

With water; Iodine monochloride; acetic acid; sodium hydroxide; In ethanol; dichloromethane;

upstream raw materials:

N-(6-iodobenzo[d][1,3]dioxol-5-yl)acetamide

benzo[1,3]dioxolo-5-ylamine

3,4-methylenedioxyacetanilide

Downstream raw materials:

5,6-methylenedioxyindolyl-2-carboxylic acid