N'-Hydroxy-2H-1,3-Benzodioxole-5-Carboximidamide

Base Information

• Chemical Name: N'-Hydroxy-2H-1,3-Benzodioxole-5-Carboximidamide
• CAS No.: 4720-72-3
• Molecular Formula: C8H8 N2 O3
• Molecular Weight: 180.163
• Hs Code.: 2932999099
• European Community (EC) Number: 692-226-7
• DSSTox Substance ID: DTXSID10430556
• Mol file: 4720-72-3.mol

Synonyms:4720-72-3;N'-Hydroxy-2H-1,3-Benzodioxole-5-Carboximidamide;Benzo[1,3]dioxole-5-carboxamidoxime;(Z)-N'-Hydroxybenzo[d][1,3]dioxole-5-carboximidamide;N-Hydroxybenzo[d][1,3]dioxole-5-carboximidamide;N-Hydroxy-1,3-benzodioxole-5-carboximidamide;N'-hydroxy-1,3-benzodioxole-5-carboximidamide;(Z)-N'-hydroxy-2H-1,3-benzodioxole-5-carboximidamide;1448422-63-6;3,4-methylenedioxybenzamidoxime;Piperonylamidoxime;starbld0002975;SCHEMBL201542;DTXSID10430556;HMS1433E16;BBL005460;MFCD00119015;STL124852;AKOS001769145;AS-5096;IDI1_012195;CS-0311335;EN300-65263;N'-hydroxy-1,3-dioxaindane-5-carboximidamide;J-502657;F1907-0021;N-hydroxy-1,3-benzodioxole-5-carboximidamide, AldrichCPR

Chemical Property of N'-Hydroxy-2H-1,3-Benzodioxole-5-Carboximidamide

Chemical Property:

• Boiling Point: 385.3 °C at 760 mmHg
• Flash Point: 186.8 °C
• PSA: 77.07000
• Density: 1.55 g/cm³
• LogP: 1.21010
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 180.05349212
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Benzo[1,3]dioxole-5-carboxamidoxime ^*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)C(=NO)N
• Isomeric SMILES: C1OC2=C(O1)C=C(C=C2)/C(=N/O)/N

Technology Process of N'-Hydroxy-2H-1,3-Benzodioxole-5-Carboximidamide

There total 1 articles about N'-Hydroxy-2H-1,3-Benzodioxole-5-Carboximidamide 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:

piperonal-(Z)-oxime (20747-42-6) → (Z)-N'-hydroxy benzo[d][1,3]dioxole-5-carboximidamide (4720-72-3)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid anhydride

2: alcohol; hydroxylamine / 60 °C

With ethanol; hydroxylamine; acetic anhydride;

Reference yield: 91.0%

(Z)-N'-hydroxy benzo[d][1,3]dioxole-5-carboximidamide (4720-72-3) + 2-trifluoromethylbenzoyl chloride (312-94-7) → (Z)-N'-((2-(trifluoromethyl)benzoyl)oxy)benzo[d][1,3]dioxole-5-carboximidamide

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 18h;

Reference yield: 89.0%

(Z)-N'-hydroxy benzo[d][1,3]dioxole-5-carboximidamide (4720-72-3) + isopropyl 2'-(chlorocarbonyl)-[1,1'-biphenyl]-2-carboxylate → (Z)-isopropyl 2′-((((amino(benzo[d][1,3]dioxol-5-yl)methylene)amino)oxy)carbonyl)-[1,1′-biphenyl]-2-carboxylate

Guidance literature:

With triethylamine; In tetrahydrofuran; for 16.5h;

upstream raw materials:

piperonal-(Z)-oxime

Downstream raw materials:

piperonylonitrile

ethyl 3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate

5-(4-hydroxyphenyl)-3-(3,4-methylenedioxyphenyl)-1,2,4-oxadiazole

3-(3,4-methylenedioxyphenyl)-5-(piperidin-4-yl)-1,2,4-oxadiazole