4-(Hexyloxy)benzohydrazide

Base Information

• Chemical Name: 4-(Hexyloxy)benzohydrazide
• CAS No.: 64328-63-8
• Molecular Formula: C13H20 N2 O2
• Molecular Weight: 236.314
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID70364641
• Nikkaji Number: J1.494.883J
• Wikidata: Q82148705
• Mol file: 64328-63-8.mol

Synonyms:4-(HEXYLOXY)BENZOHYDRAZIDE;64328-63-8;4-hexoxybenzohydrazide;4-Hexyloxy-benzoic acid hydrazide;4-(Hexyloxy)benzhydrazide;4-n-Hexyloxybenzoylhydrazine;SCHEMBL3952381;DTXSID70364641;N-(4-n-hexyloxybenzoyl)hydrazine;BBL023576;MFCD00564782;STL355984;AKOS000319454;VS-07456;CS-0297580;EN300-04351;Z56862707

Chemical Property of 4-(Hexyloxy)benzohydrazide

Chemical Property:

• Melting Point: 77-80 °C(Solv: methanol (67-56-1))
• PKA: 12.69±0.10(Predicted)
• PSA: 64.35000
• Density: 1.057g/cm³
• LogP: 3.34040
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 236.152477885
• Heavy Atom Count: 17
• Complexity: 214

Purity/Quality:

98%Min ^*data from raw suppliers

4-(Hexyloxy)benzohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)NN

Technology Process of 4-(Hexyloxy)benzohydrazide

There total 9 articles about 4-(Hexyloxy)benzohydrazide 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: 97.0%

methyl 4-hexyloxybenzoate (50822-54-3) → 4-hexyloxy-benzoic acid hydrazide (64328-63-8)

Guidance literature:

With hydrazine hydrate; In methanol; Reflux;

Reference yield: 80.0%

4-hexyloxy-benzoic acid ethyl ester (154845-72-4) → 4-hexyloxy-benzoic acid hydrazide (64328-63-8)

Guidance literature:

With hydrazine hydrate; In ethanol; for 48h; Reflux;

DOI:10.1039/c7tc01420a

Reference yield:

Ethyl 4-hydroxybenzoate (120-47-8) → 4-hexyloxy-benzoic acid hydrazide (64328-63-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 82 percent / KOH; KI / ethanol / 6 h / Heating

2: KOH / ethanol; H₂O / 3 h / Heating

3: thionyl chloride; N,N-dimethyl formamide / CH₂Cl₂ / 2 h / 70 °C

4: hydrazine monohydrate / CH₂Cl₂; tetrahydrofuran; triethylamine / 0.33 h / 0 °C

With potassium hydroxide; thionyl chloride; hydrazine hydrate; N,N-dimethyl-formamide; potassium iodide; In tetrahydrofuran; ethanol; dichloromethane; water; triethylamine;

DOI:10.1080/10587250108030113

upstream raw materials:

4-hexyloxy-benzoic acid ethyl ester

methyl 4-hexyloxybenzoate

4-hexyloxybenzoyl chloride

Ethyl 4-hydroxybenzoate

Downstream raw materials:

4-Cyano-benzoic acid N'-(4-hexyloxy-benzoyl)-hydrazide

1-(4-hexyloxy-benzoyl)-thiosemicarbazide

2-(4-bromophenyl)-5-(4-hexyloxyphenyl)-[1,3,4]oxadiazole

2-<4-Hexyloxy-phenyl>-5--1,3,4-thiadiazol