1-{2-[4-(Benzyloxy)phenoxy]ethyl}-4-chloro-1H-pyrazole

Base Information

• Chemical Name: 1-{2-[4-(Benzyloxy)phenoxy]ethyl}-4-chloro-1H-pyrazole
• CAS No.: 88670-78-4
• Molecular Formula: C18H17ClN2O2
• Molecular Weight: 328.798
• DSSTox Substance ID: DTXSID30603543
• Wikidata: Q82500984
• Mol file: 88670-78-4.mol

Synonyms:88670-78-4;SCHEMBL10790005;1-{2-[4-(Benzyloxy)phenoxy]ethyl}-4-chloro-1H-pyrazole;DTXSID30603543

Chemical Property of 1-{2-[4-(Benzyloxy)phenoxy]ethyl}-4-chloro-1H-pyrazole

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 328.0978555
• Heavy Atom Count: 23
• Complexity: 331

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCN3C=C(C=N3)Cl

Technology Process of 1-{2-[4-(Benzyloxy)phenoxy]ethyl}-4-chloro-1H-pyrazole

There total 1 articles about 1-{2-[4-(Benzyloxy)phenoxy]ethyl}-4-chloro-1H-pyrazole 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:

4-chloro-1H-pyrazole (15878-00-9) + 2-(4-benzyloxyphenoxy)ethyl bromide (3351-59-5) → 1-benzyloxy-4-[2-(4-chloro-1-pyrazolyl)ethoxy]benzene (88670-78-4)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMF, 5 min, 2.) DMF, 60 deg C, 30 min;

DOI:10.1021/jm00370a012

Reference yield: 53.0%

1-benzyloxy-4-[2-(4-chloro-1-pyrazolyl)ethoxy]benzene (88670-78-4) → 4-[2-(4-chloro-1-pyrazolyl)ethoxy]phenol (80200-05-1)

Guidance literature:

With hydrogen bromide; acetic acid; at 25 ℃; for 0.5h;

DOI:10.1021/jm00370a012

Reference yield:

1-benzyloxy-4-[2-(4-chloro-1-pyrazolyl)ethoxy]benzene (88670-78-4) → 1-isopropylamino-3-[4-[2-(4-chloro-1-pyrazolyl)ethoxy]phenoxy]-2-propanol (80200-36-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 53 percent / 48percent HBr-acetic acid / 0.5 h / 25 °C

2: 1.) sodium hydride / 1.) DMF, 5 min, 2.) DMF, 60 deg C, 30 min

3: ethanol / 18 h / Ambient temperature

With hydrogen bromide; sodium hydride; acetic acid; In ethanol;

DOI:10.1021/jm00370a012

upstream raw materials:

4-chloro-1H-pyrazole

2-(4-benzyloxyphenoxy)ethyl bromide

Downstream raw materials:

4-[2-(4-chloro-1-pyrazolyl)ethoxy]phenol

1-isopropylamino-3-[4-[2-(4-chloro-1-pyrazolyl)ethoxy]phenoxy]-2-propanol