1-(4-(Chloromethyl)phenyl)-1H-pyrazole hydrochloride

Base Information

• Chemical Name: 1-(4-(Chloromethyl)phenyl)-1H-pyrazole hydrochloride
• CAS No.: 143426-52-2
• Molecular Formula: C10H9 Cl N2
• Molecular Weight: 192.648
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID20585829
• Mol file: 143426-52-2.mol

Synonyms:1052543-40-4;1-(4-(Chloromethyl)phenyl)-1H-pyrazole hydrochloride;1-[4-(chloromethyl)phenyl]-1H-pyrazole hydrochloride;1-[4-(Chloromethyl)phenyl]pyrazole Hydrochloride;1-[4-(chloromethyl)phenyl]pyrazole;hydrochloride;1-[4-(Chloromethyl)phenyl]pyrazoleHydrochloride;DTXSID20585829;AC2816;MFCD07344337;AKOS016009550;1-[4-(Chloromethyl)phenyl]pyrazole HCl;SY031098;CS-0234682;EN300-14567;Z104343042;1-[4-(Chloromethyl)phenyl]-1H-pyrazole--hydrogen chloride (1/1)

Chemical Property of 1-(4-(Chloromethyl)phenyl)-1H-pyrazole hydrochloride

Chemical Property:

• Vapor Pressure: 0.00163mmHg at 25°C
• Boiling Point: 303.9°Cat760mmHg
• PKA: 0.05±0.10(Predicted)
• Flash Point: 137.6°C
• PSA: 17.82000
• Density: 1.19g/cm³
• LogP: 2.61110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 228.0221037
• Heavy Atom Count: 14
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

1-[4-(Chloromethyl)phenyl]-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(N=C1)C2=CC=C(C=C2)CCl.Cl

Technology Process of 1-(4-(Chloromethyl)phenyl)-1H-pyrazole hydrochloride

There total 5 articles about 1-(4-(Chloromethyl)phenyl)-1H-pyrazole hydrochloride 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: 95.0%

1-(4-hydroxymethylphenyl)-1H-pyrazole (143426-49-7) → 4-(1H-pyrazol-1-yl)phenylmethyl chloride (143426-52-2)

Guidance literature:

With thionyl chloride; 1.) RT, 30 min, 2.) reflux, 1.5 h;

DOI:10.1016/0223-5234(92)90005-L

Reference yield:

4-pyrazol-1-yl-benzoic acid ethyl ester (143426-47-5) → 4-(1H-pyrazol-1-yl)phenylmethyl chloride (143426-52-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / NaBH₄, CaCl₂ / tetrahydrofuran / Ambient temperature

2: 95 percent / SOCl₂ / 1.) RT, 30 min, 2.) reflux, 1.5 h

With sodium tetrahydroborate; thionyl chloride; calcium chloride; In tetrahydrofuran;

DOI:10.1016/0223-5234(92)90005-L

Reference yield:

4-fluorobenzoic acid ethyl ester (451-46-7) → 4-(1H-pyrazol-1-yl)phenylmethyl chloride (143426-52-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 74 percent / NaH / dimethylsulfoxide / 18 h / 100 °C

2: 89 percent / NaBH₄, CaCl₂ / tetrahydrofuran / Ambient temperature

3: 95 percent / SOCl₂ / 1.) RT, 30 min, 2.) reflux, 1.5 h

With sodium tetrahydroborate; thionyl chloride; sodium hydride; calcium chloride; In tetrahydrofuran; dimethyl sulfoxide;

DOI:10.1016/0223-5234(92)90005-L

upstream raw materials:

1-(4-hydroxymethylphenyl)-1H-pyrazole

4-pyrazol-1-yl-benzoic acid ethyl ester

4-fluorobenzoic acid ethyl ester

4-methoxycarbonylphenyl bromide

Refernces

• 1、 -. "ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE". Paragraph 0388. . Retrieved 2015/11/10.