1,3-Benzodioxol-5-ylhydrazine

Base Information

• Chemical Name: 1,3-Benzodioxol-5-ylhydrazine
• CAS No.: 62646-09-7
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.15100
• DSSTox Substance ID: DTXSID00505929
• Wikidata: Q82361382
• Mol file: 62646-09-7.mol

Synonyms:62646-09-7;1,3-benzodioxol-5-ylhydrazine;BENZO[1,3]DIOXOL-5-YL-HYDRAZINE;Benzo[d][1,3]dioxol-5-ylhydrazine;Hydrazine, 1,3-benzodioxol-5-yl-;3,4-methylenedioxyphenylhydrazine;1,3-Benzodioxol-5-ylhydrazine x1hcl;SCHEMBL2479413;(1,3-dioxaindan-5-yl)hydrazine;DTXSID00505929;KICYFFZBYGXTAF-UHFFFAOYSA-N;MFCD07786366;(2H-1,3-Benzodioxol-5-yl)hydrazine;AKOS000161629;CS-0270700;EN300-270782;A1-05297

Chemical Property of 1,3-Benzodioxol-5-ylhydrazine

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 7.5 °C
• Boiling Point: 160 °C(Press: 1 Torr)
• PKA: 5.72±0.20(Predicted)
• PSA: 56.51000
• Density: 1.418±0.06 g/cm3(Predicted)
• LogP: 1.47420
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

1,3-Benzodioxol-5-ylhydrazine 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)NN

Technology Process of 1,3-Benzodioxol-5-ylhydrazine

There total 3 articles about 1,3-Benzodioxol-5-ylhydrazine 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: 26.0%

benzo[1,3]dioxolo-5-ylamine (14268-66-7) → benzo[1,3]dioxol-5-ylhydrazine (62646-09-7)

Guidance literature:

benzo[1,3]dioxolo-5-ylamine; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.5h;

With hydrogenchloride; tin(ll) chloride; In water; at 15 ℃; for 0.5h;

DOI:10.1016/j.bmc.2004.03.004

Reference yield:

3,4-methylenedioxybenzamide (4847-94-3) → benzo[1,3]dioxol-5-ylhydrazine (62646-09-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution; alkaline aqueous sodium hypochlorite solution

2: aqueous hydrochloric acid; aqueous sodium nitrite solution; tin (II)-chloride

With hydrogenchloride; sodium hydroxide; alkaline aqueous sodium hypochlorite solution; tin(ll) chloride; sodium nitrite;

DOI:10.1039/jr9450000702

Reference yield:

→ benzo[1,3]dioxol-5-ylhydrazine (62646-09-7)

Guidance literature:

3,4-Methylendioxyanilin 1. HNO2 2. SnCl2;

upstream raw materials:

benzo[1,3]dioxolo-5-ylamine

3,4-methylenedioxybenzamide

Downstream raw materials:

3-(2-benzo[1,3]dioxol-5-yl-2H-pyrazol-3-yl)-1-phenyl-1H-pyridazin-4-one

C₂₃H₁₆FN₃O₂

C₂₂H₁₆N₄O₂

4-[1-benzo[1,3]dioxol-5-yl-5-(6-methyl-pyridin-2-yl)-1H-[1,2,4]triazol-3-yl]-benzonitrile

Refernces

• 1、 Kim, Dae-Kee,Kim, Joonseop,Park, Hyun-Ju. "Design, synthesis, and biological evaluation of novel 2-pyridinyl-[1,2,4] triazoles as inhibitors of transforming growth factor β1 type 1 receptor". . p. 2013 - 2020. Retrieved 2007/10/03.
• 2、 Komatsu,Awata,Sakai,Inukai,Kimura,Inaba,Yamamoto. "Synthesis and pharmacology of a novel anti-inflammatory agent, ID-1619.". . p. 2099 - 2104. Retrieved 2007/10/08.