1-(chloromethyl)-1H-pyrazole hydrochloride

Base Information

• Chemical Name: 1-(chloromethyl)-1H-pyrazole hydrochloride
• CAS No.: 73901-67-4
• Molecular Formula: C4H5ClN2.ClH
• Molecular Weight: 153.011
• European Community (EC) Number: 837-220-9
• DSSTox Substance ID: DTXSID80482284
• Mol file: 73901-67-4.mol

Synonyms:73901-67-4;1-(chloromethyl)-1H-pyrazole hydrochloride;1-(chloromethyl)pyrazole hydrochloride;1-(chloromethyl)-1H-pyrazole HCl;1-(chloromethyl)pyrazole;hydrochloride;SCHEMBL2186150;DTXSID80482284;PSSOLQMYDTWFCH-UHFFFAOYSA-N;MFCD12196911;AKOS026742909;AB91241;1-(chloromethyl)-1H-pyrazolehydrochloride;AS-41061;CS-0238199;1-chloromethyl pyrazole hydrochloric acid salt;EN300-191294

Chemical Property of 1-(chloromethyl)-1H-pyrazole hydrochloride

Chemical Property:

• PSA: 17.82000
• LogP: 1.88140
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 151.9908036
• Heavy Atom Count: 8
• Complexity: 57.7

Purity/Quality:

98%Min ^*data from raw suppliers

1-(chloromethyl)-1H-pyrazolehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(N=C1)CCl.Cl

Technology Process of 1-(chloromethyl)-1H-pyrazole hydrochloride

There total 1 articles about 1-(chloromethyl)-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: 90.0%

pyrazole-1-methanol (1120-82-7) → 1-(chloromethyl)pyrazole hydrochloride (73901-67-4)

Guidance literature:

With thionyl chloride; In chloroform; for 3h; Ambient temperature;

Reference yield: 65.0%

sodium tetraphenyl borate (143-66-8) + N-(2,4,6-trimethylphenyl)imidazole (25364-44-7) + 1-(chloromethyl)pyrazole hydrochloride (73901-67-4) → C3H3N2CH2NC3H3NC6H2(CH3)3(1+)*B(C6H5)4(1-)=(C3H3N2CH2NC3H3NC6H2(CH3)3)B(C6H5)4 (1191987-59-3)

Guidance literature:

N-(2,4,6-trimethylphenyl)imidazole; 1-(chloromethyl)pyrazole hydrochloride; In toluene; for 2h; Reflux;

sodium tetraphenyl borate; In toluene; at 20 ℃; for 1.08333h; Reflux;

DOI:10.1039/b906724h

Reference yield: 62.0%

sodium tetraphenyl borate (143-66-8) + 1-(chloromethyl)pyrazole hydrochloride (73901-67-4) + 1-tert-butylimidazole (45676-04-8) → C3H3N2CH2NC3H3NC(CH3)3(1+)*B(C6H5)4(1-)=(C3H3N2CH2NC3H3NC(CH3)3)B(C6H5)4 (1191987-61-7)

Guidance literature:

1-(chloromethyl)pyrazole hydrochloride; 1-tert-butylimidazole; In toluene; for 2h; Reflux;

sodium tetraphenyl borate; In toluene; at 20 ℃; for 1.08333h; Reflux;

DOI:10.1039/b906724h

upstream raw materials:

pyrazole-1-methanol

Downstream raw materials:

1-(isopropylamino)-3-<4-(1-pyrazolylmethoxy)phenoxy>-2-propanol

1-(diphenylphosphinomethyl)pyrazole

2-chloro-2'-methyl-N-pyrazolylmethyl-6'-(2,2,2-trifluoroethoxy)acetanilide

2-chloro-2'-difluoromethoxy-6'-methyl-N-pyrazolylmethyl acetanilide

Refernces

• 1、 -. "MALONONITRILE COMPOUND AND USE THEREOF". Page/Page column 41. . Retrieved 2008/06/13.