4-[(3-Fluorobenzyl)oxy]benzenecarbohydrazide

Base Information

• Chemical Name: 4-[(3-Fluorobenzyl)oxy]benzenecarbohydrazide
• CAS No.: 886361-23-5
• Molecular Formula: C14H13FN2O2
• Molecular Weight: 260.26
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID00382434
• Wikidata: Q82173792
• Mol file: 886361-23-5.mol

Synonyms:4-[(3-Fluorobenzyl)oxy]benzenecarbohydrazide;886361-23-5;4-[(3-fluorophenyl)methoxy]benzohydrazide;4-((3-Fluorobenzyl)oxy)benzohydrazide;4-(3-Fluorobenzyloxy)benzenecarbohydrazide;DTXSID00382434;MFCD05663827;AKOS005071223;CS-0326077;8X-0732;J-513154

Chemical Property of 4-[(3-Fluorobenzyl)oxy]benzenecarbohydrazide

Chemical Property:

• Melting Point: 118-120°C
• PSA: 64.35000
• LogP: 3.09940
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 260.09610582
• Heavy Atom Count: 19
• Complexity: 293

Purity/Quality:

98%min ^*data from raw suppliers

4-(3-Fluorobenzyloxy)benzenecarbohydrazide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)C(=O)NN

Technology Process of 4-[(3-Fluorobenzyl)oxy]benzenecarbohydrazide

There total 4 articles about 4-[(3-Fluorobenzyl)oxy]benzenecarbohydrazide 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: 79.5%

ethyl 4‐(3‐fluorobenzyloxy)benzoate (56441-81-7) → [4‐(3‐fluorobenzyloxy)benzoyl]hydrazine (886361-23-5)

Guidance literature:

With hydrazine hydrate; In propan-1-ol; for 24h; Reflux;

DOI:10.1002/jlcr.3779

Reference yield:

Ethyl 4-hydroxybenzoate (120-47-8) → [4‐(3‐fluorobenzyloxy)benzoyl]hydrazine (886361-23-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium hydroxide / acetonitrile / 0.5 h / Reflux

1.2: 3 h / Reflux

2.1: hydrazine hydrate / ethanol / 6 h / Reflux

With hydrazine hydrate; potassium hydroxide; In ethanol; acetonitrile;

DOI:10.2174/1570180810666131122003939

Reference yield:

1-(Bromomethyl)-3-fluorobenzene (456-41-7) → [4‐(3‐fluorobenzyloxy)benzoyl]hydrazine (886361-23-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 20 °C / Cooling

1.2: 5 h

2.1: hydrazine hydrate / propan-1-ol / 24 h / Reflux

With sodium hydride; hydrazine hydrate; In propan-1-ol; N,N-dimethyl-formamide;

DOI:10.1002/jlcr.3779

upstream raw materials:

ethyl 4‐(3‐fluorobenzyloxy)benzoate

Ethyl 4-hydroxybenzoate

m-fluorobenzyl chloride

1-(Bromomethyl)-3-fluorobenzene

Downstream raw materials:

C₁₅H₁₁FN₂O₃

4-butyl-5-(4-(3-fluorobenzyloxy)phenyl)-2H-1,2,4-triazole-3(4H)-one

C₁₉H₂₂FN₃O₃

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