3-(1-(2-Benzoxazolyl)hydrazino)propanenitrile

Base Information

• Chemical Name: 3-(1-(2-Benzoxazolyl)hydrazino)propanenitrile
• CAS No.: 93794-06-0
• Molecular Formula: C10H10 N4 O
• Molecular Weight: 202.21
• DSSTox Substance ID: DTXSID30239649
• Wikidata: Q83122053
• ChEMBL ID: CHEMBL50442
• Mol file: 93794-06-0.mol

Synonyms:3-(1-(2-benzoxazolyl)hydrazino)propanenitrile;3-BHPN

Chemical Property of 3-(1-(2-Benzoxazolyl)hydrazino)propanenitrile

Chemical Property:

• Vapor Pressure: 8.73E-07mmHg at 25°C
• Melting Point: 167-170°
• Boiling Point: 405.5°Cat760mmHg
• Flash Point: 199°C
• PSA: 79.08000
• Density: 1.338g/cm³
• LogP: 2.12188
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 202.08546096
• Heavy Atom Count: 15
• Complexity: 261

Purity/Quality:

98%min ^*data from raw suppliers

3-[1-(1,3-Benzoxazol-2-yl)hydrazino]propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)N(CCC#N)N

Technology Process of 3-(1-(2-Benzoxazolyl)hydrazino)propanenitrile

There total 6 articles about 3-(1-(2-Benzoxazolyl)hydrazino)propanenitrile 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:

2-chloro-1,3-benzoxazole (615-18-9) + 2-hydrazinebenzoxazole + CHOLINE → 3-<1-(2-benzoxazolyl)hydrazino>propanenitrile (93794-06-0)

Guidance literature:

With hydrazine hydrate; In 1,4-dioxane; acrylonitrile;

Reference yield:

2-chloro-1,3-benzoxazole (615-18-9) → 3-<1-(2-benzoxazolyl)hydrazino>propanenitrile (93794-06-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / dioxane / 0.5 h / Ambient temperature

2: 2 N sodium hydroxide / tetrahydrofuran / 1.) 60 deg C, 15 min, 2.) room temperature, 15 min

With sodium hydroxide; hydrazine hydrate; In tetrahydrofuran; 1,4-dioxane;

DOI:10.1021/jm00117a010

Reference yield:

2-amino-phenol (95-55-6) → 3-<1-(2-benzoxazolyl)hydrazino>propanenitrile (93794-06-0)

Guidance literature:

Multi-step reaction with 4 steps

1: ethanol / Heating

2: phosphorus pentachloride / benzene / 2 h / Heating

3: hydrazine hydrate / dioxane / 0.5 h / Ambient temperature

4: 2 N sodium hydroxide / tetrahydrofuran / 1.) 60 deg C, 15 min, 2.) room temperature, 15 min

With sodium hydroxide; phosphorus pentachloride; hydrazine hydrate; In tetrahydrofuran; 1,4-dioxane; ethanol; benzene;

DOI:10.1021/jm00117a010

upstream raw materials:

2-hydrazino-1,3-benzoxazole

acrylonitrile

2-chloro-1,3-benzoxazole

2-amino-phenol

Downstream raw materials:

C₁₇H₂₁N₅O₂

Refernces

• 1、 -. "[1-(2-Benzoxazolyl)hydrazino]alkyl nitrile derivatives". . . Retrieved 2008/06/13.