1,3-Benzodioxole-5,6-diamine dihydrochloride

Base Information

• Chemical Name: 1,3-Benzodioxole-5,6-diamine dihydrochloride
• CAS No.: 81864-15-5
• Molecular Formula: C₇H₈N₂O₂*2ClH
• Molecular Weight: 225.075
• Hs Code.: 2932999099
• European Community (EC) Number: 636-009-7
• DSSTox Substance ID: DTXSID30512505
• Mol file: 81864-15-5.mol

Synonyms:81864-15-5;1,3-Benzodioxole-5,6-diamine dihydrochloride;Benzo[d][1,3]dioxole-5,6-diamine dihydrochloride;4,5-Methylenedioxy-1,2-phenylenediamine dihydrochloride;1,2-DIAMINO-4,5-METHYLENEDIOXYBENZENE, DIHYDROCHLORIDE;1,3-benzodioxole-5,6-diamine;dihydrochloride;1,2-Diamino-4,5-methylenedioxybenzene dihydrochloride;MFCD00037497;5,6-Diamino-1,3-benzodioxole dihydrochloride;5,6-Diaminobenzo[1,3]dioxole dihydrochloride;1,3-Benzodioxole-5,6-diamine, dihydrochloride;2H-1,3-benzodioxole-5,6-diamine dihydrochloride;SCHEMBL591717;1,2-Diamino-4,5-methylenedioxybenzene,dihydrochloride;DTXSID30512505;AKOS025116749;CS-W020936;AS-67721;PD150927;FT-0666380;Benzo[1,3]dioxole-5-6-diamine dihydrochloride;F77902;Benzo[d][1,3]dioxole-5,6-diaminedihydrochloride;1,3-BENZODIOXOLE-5,6-DIAMINEDIHYDROCHLORIDE;2H-1,3-Benzodioxole-5,6-diamine--hydrogen chloride (1/2);4,5-Methylenedioxy-1,2-phenylenediamine dihydrochloride, Fluorogenic reagent;Benzo[1,3]dioxole-5-6-diamine diHCl (1,2-Diamino-4,5-methylenedioxybenzene diHCl);4,5-Methylenedioxy-1,2-phenylenediamine dihydrochloride, BioReagent, suitable for fluorescence, >=99.0% (HPLC);Benzo[1,3]dioxole-5-6-diamine dihydrochloride (1,2-Diamino-4,5-methylenedioxybenzene dihydrochloride)

Chemical Property of 1,3-Benzodioxole-5,6-diamine dihydrochloride

Chemical Property:

• Appearance/Colour: light brown solid
• Vapor Pressure: 1.3E-06mmHg at 25°C
• Melting Point: 247-249 °C
• Boiling Point: 394.6 °C at 760 mmHg
• Flash Point: 192.4 °C
• PSA: 70.50000
• LogP: 3.34610
• Storage Temp.: −20°C
• Solubility.: H2O: soluble50mg/mL
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 224.0119330
• Heavy Atom Count: 13
• Complexity: 137

Purity/Quality:

98%Min ^*data from raw suppliers

1,2-Diamino-4,5-methylenedioxybenzene,Dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)N)N.Cl.Cl
• Uses: A highly sensitive reagent for α-keto acids. A fluorometric labeling reagent. A highly sensitive reagent for α-keto acids. A fluorometric labeling reagent. Dyes and metabolites.

Technology Process of 1,3-Benzodioxole-5,6-diamine dihydrochloride

There total 2 articles about 1,3-Benzodioxole-5,6-diamine dihydrochloride 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: 57.0%

5,6-dinitro-benzo[1,3]dioxole (7748-59-6) → 1,2-diamino-4,5-methylenedioxybenzene dihydrochloride (81864-15-5)

Guidance literature:

With hydrogenchloride; iron; In benzene; for 4h; Heating;

Reference yield:

2-amino-4,5-methylenedioxy-1-nitrobenzene (64993-07-3) → 1,2-diamino-4,5-methylenedioxybenzene dihydrochloride (81864-15-5)

Guidance literature:

With hydrogenchloride; In methanol; ethyl acetate;

Reference yield:

1,2-diamino-4,5-methylenedioxybenzene dihydrochloride (81864-15-5) → 2-Mercapto-5,6-methylendioxy-benzimidazol (35541-25-4)

Guidance literature:

With potassium hydroxide; In water; acetic acid; isopropyl alcohol;

upstream raw materials:

5,6-dinitro-benzo[1,3]dioxole

2-amino-4,5-methylenedioxy-1-nitrobenzene

Downstream raw materials:

2-Mercapto-5,6-methylendioxy-benzimidazol

1,5,6,7-tetrahydropyrrolo-(2,3-f)benzimidazole-2-thiol