2H-1,3-Benzodioxole-5-carboximidamidium

Base Information

• Chemical Name: 2H-1,3-Benzodioxole-5-carboximidamidium
• CAS No.: 4720-71-2
• Molecular Formula: C8H8 N2 O2
• Molecular Weight: 164.164
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID30963770
• Wikidata: Q82945680
• Mol file: 4720-71-2.mol

Synonyms:DTXSID30963770;2H-1,3-Benzodioxole-5-carboximidamidium

Chemical Property of 2H-1,3-Benzodioxole-5-carboximidamidium

Chemical Property:

• Boiling Point: 420.2 °C at 760 mmHg
• Flash Point: 207.9 °C
• PSA: 68.33000
• LogP: 1.49940
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 165.066402534
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

98%Min ^*data from raw suppliers

1,3-Benzodioxole-5-Carboximidamide 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C(=[NH2+])N

Technology Process of 2H-1,3-Benzodioxole-5-carboximidamidium

There total 2 articles about 2H-1,3-Benzodioxole-5-carboximidamidium 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:

diethyl ether (60-29-7,927820-24-4) + piperonal-((Z)-O-acetyl oxime ) (61077-55-2) → piperonylonitrile (4421-09-4) + piperonal-(Z)-oxime (20747-42-6) + benzo[d][1,3]dioxol-5-carboxyimidamide (4720-71-2)

Guidance literature:

Product distribution;

DOI:10.1021/jo01128a011

Reference yield:

(E)-benzo[d][1,3]dioxole-5-carbaldehyde O-acetyl oxime (61077-55-2) → piperonylonitrile (4421-09-4) + benzo[d][1,3]dioxol-5-carboxyimidamide (4720-71-2)

Guidance literature:

With diethyl ether; ammonia; potassium amide; at -35 ℃; Behandeln des Reaktionsgemisches mit Ammoniumchlorid;

DOI:10.1021/jo01128a011

Reference yield: 41.0%

1,2-Diiodobenzene (615-42-9) + benzo[d][1,3]dioxol-5-carboxyimidamide (4720-71-2) → N-phenylbenzo[1,3]dioxole-5-carboxamidine (64499-60-1) + 2-benzo[1,3]dioxol-5-yl-1H-benzoimidazole (2562-69-8)

Guidance literature:

With copper(l) iodide; caesium carbonate; N,N`-dimethylethylenediamine; In 1-methyl-pyrrolidin-2-one; at 170 ℃; Inert atmosphere;

DOI:10.1021/jo900912h

upstream raw materials:

(E)-benzo[d][1,3]dioxole-5-carbaldehyde O-acetyl oxime

diethyl ether

piperonal-((Z)-O-acetyl oxime )

Downstream raw materials:

N-phenylbenzo[1,3]dioxole-5-carboxamidine

2-benzo[1,3]dioxol-5-yl-1H-benzoimidazole