4-(chloromethyl)-1-phenyl-1H-1,2,3-triazole

Base Information

• Chemical Name: 4-(chloromethyl)-1-phenyl-1H-1,2,3-triazole
• CAS No.: 924868-97-3
• Molecular Formula: C9H8ClN3
• Molecular Weight: 193.63
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID801264233
• Mol file: 924868-97-3.mol

Synonyms:4-(chloromethyl)-1-phenyl-1H-1,2,3-triazole;924868-97-3;4-(chloromethyl)-1-phenyltriazole;4-(chloromethyl)-1-phenyl-1,2,3-triazole;4-chloromethyl-1-phenyl-1h-[1,2,3]triazole;1H-1,2,3-Triazole, 4-(chloromethyl)-1-phenyl-;SCHEMBL4434629;AHQUALIGAOCMNW-UHFFFAOYSA-N;DTXSID801264233;MFCD08444000;STK694723;AKOS005072213;DA-0705;DB-332262;F2157-0665;4-(chloromethyl)-1-phenyl-1H-1,2,3-triazole, AldrichCPR

Chemical Property of 4-(chloromethyl)-1-phenyl-1H-1,2,3-triazole

Chemical Property:

• Melting Point: 113-115°C
• PSA: 30.71000
• LogP: 2.00610
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 193.0406750
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

98%min ^*data from raw suppliers

4-(Chloromethyl)-1-phenyl-1H-1,2,3-triazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=C(N=N2)CCl

Technology Process of 4-(chloromethyl)-1-phenyl-1H-1,2,3-triazole

There total 1 articles about 4-(chloromethyl)-1-phenyl-1H-1,2,3-triazole 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:

(1-phenyl-1H-1,2,3-triazole-4-yl)methanol (103755-58-4) → 4-chloromethyl-1-phenyl-1H-1,2,3-triazole (924868-97-3)

Guidance literature:

With thionyl chloride; In dichloromethane; Reflux;

Reference yield: 49.0%

methyl 3-pyridinecarboxylate (93-60-7) + 4-chloromethyl-1-phenyl-1H-1,2,3-triazole (924868-97-3) + trifluoroacetic acid (76-05-1) → methyl 1-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyridin-1-ium-3-carboxylate trifluoroacetate

Guidance literature:

methyl 3-pyridinecarboxylate; 4-chloromethyl-1-phenyl-1H-1,2,3-triazole; In N,N-dimethyl-formamide; at 50 ℃; for 108h;

trifluoroacetic acid; In water; acetonitrile;

Reference yield: 41.0%

4-pyridinecarboxylic acid, methyl ester (2459-09-8) + 4-chloromethyl-1-phenyl-1H-1,2,3-triazole (924868-97-3) + trifluoroacetic acid (76-05-1) → methyl 1-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyridin-1-ium-4-carboxylate trifluoroacetate

Guidance literature:

4-pyridinecarboxylic acid, methyl ester; 4-chloromethyl-1-phenyl-1H-1,2,3-triazole; In N,N-dimethyl-formamide; at 50 - 70 ℃; for 132h;

trifluoroacetic acid; In water; acetonitrile;

upstream raw materials:

(1-phenyl-1H-1,2,3-triazole-4-yl)methanol

Downstream raw materials:

(R)-3-(1-phenylcycloheptanecarbonyloxy)-1-(1-phenyl-1H-[1,2,3]triazol-4-ylmethyl)-1-azoniabicyclo[2.2.2]octane chloride

(R)-3-((S)-2-phenyl-2-piperidin-1-yl-propionyloxy)-1-(1-phenyl-1H-[1,2,3]triazol-4-ylmethyl)-1-azonia-bicyclo[2.2.2]octane chloride