3-(1,3-Benzodioxol-5-yl)propanohydrazide

Base Information

• Chemical Name: 3-(1,3-Benzodioxol-5-yl)propanohydrazide
• CAS No.: 88368-72-3
• Molecular Formula: C10H12 N2 O3
• Molecular Weight: 208.217
• Hs Code.: 2932999099
• European Community (EC) Number: 886-159-4
• DSSTox Substance ID: DTXSID30442419
• Wikidata: Q82259681
• Mol file: 88368-72-3.mol

Synonyms:88368-72-3;3-(1,3-benzodioxol-5-yl)propanohydrazide;3-(1,3-benzodioxol-5-yl)propanehydrazide;3-(Benzo[d][1,3]dioxol-5-yl)propanehydrazide;3-(benzo[d][1,3]dioxol-6-yl)propane-hydrazide;3-(2H-1,3-benzodioxol-5-yl)propanehydrazide;1,3-Benzodioxole-5-propanoic acid, hydrazide;SCHEMBL6869142;DTXSID30442419;XCDKQKNUUYBVBS-UHFFFAOYSA-N;MFCD08061562;STK665893;AKOS005536496;AC-7811;LS-07962;A916171

Chemical Property of 3-(1,3-Benzodioxol-5-yl)propanohydrazide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 447.684°C at 760 mmHg
• Flash Point: 224.552°C
• PSA: 73.58000
• Density: 1.305g/cm³
• LogP: 1.42900
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 208.08479225
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

3-(1,3-Benzodioxol-5-yl)propanohydrazide ^*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)CCC(=O)NN

Technology Process of 3-(1,3-Benzodioxol-5-yl)propanohydrazide

There total 8 articles about 3-(1,3-Benzodioxol-5-yl)propanohydrazide 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: 77.0%

2-acetoxy-3-(3,4-methylenedioxyphenyl)propanoic acid (57906-98-6) → 3-(3,4-methylenedioxyphenyl)propionic acid hydrazide (88368-72-3)

Guidance literature:

With hydrazine hydrate; In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.21577/0103-5053.20190033

Reference yield: 46.5%

3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester (7116-48-5) → 3-(3,4-methylenedioxyphenyl)propionic acid hydrazide (88368-72-3)

Guidance literature:

With hydrazine hydrate; In methanol; for 3h; Heating;

DOI:10.1248/cpb.31.2810

Reference yield:

1-allyl-3,4-methylenedioxybenzene (94-59-7) → 3-(3,4-methylenedioxyphenyl)propionic acid hydrazide (88368-72-3)

Guidance literature:

Multi-step reaction with 4 steps

1.1: BH₃*THF / tetrahydrofuran / 2 h / 20 °C

1.2: 78 percent / 30 percent H₂O₂; aq. NaOH / tetrahydrofuran; methanol / 4 h / 60 °C

2.1: 92 percent / Jones reagent / acetone / 1 h / 0 °C

3.1: 90 percent / conc. H₂SO₄ / 2 h / Heating

4.1: 75 percent / 80 percent N₂H₄*H₂O / ethanol / 3 h / Heating

With jones reagent; borane-THF; sulfuric acid; hydrazine hydrate; In tetrahydrofuran; ethanol; acetone; 1.1: hydroboration / 1.2: Oxidation / 2.1: Jones oxidation / 3.1: Fisher esterification / 4.1: Substitution;

DOI:10.1016/S0223-5234(00)00120-3

upstream raw materials:

3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester

2-acetoxy-3-(3,4-methylenedioxyphenyl)propanoic acid

1-allyl-3,4-methylenedioxybenzene

3-(benzo[d][1,3]dioxol-5-yl)propan-1-ol

Downstream raw materials:

N-(2-(benzo[d] [1,3]dioxol-5-yl)ethyl)-2-(2-bromo-4,5-dimethoxyphenyl)acetamide

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