5-(5-Chloropentyl)-1-cyclohexyl-1H-tetrazole

Base Information

• Chemical Name: 5-(5-Chloropentyl)-1-cyclohexyl-1H-tetrazole
• CAS No.: 78760-14-2
• Molecular Formula: C₁₂H₂₁ClN₄
• Molecular Weight: 256.779
• DSSTox Substance ID: DTXSID10516329
• Wikidata: Q82377708
• Mol file: 78760-14-2.mol

Synonyms:78760-14-2;1H-Tetrazole, 5-(5-chloropentyl)-1-cyclohexyl-;5-(5-Chloropentyl)-1-cyclohexyl-1H-tetrazole;DTXSID10516329

Chemical Property of 5-(5-Chloropentyl)-1-cyclohexyl-1H-tetrazole

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 256.1454744
• Heavy Atom Count: 17
• Complexity: 209

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2C(=NN=N2)CCCCCCl

Technology Process of 5-(5-Chloropentyl)-1-cyclohexyl-1H-tetrazole

There total 1 articles about 5-(5-Chloropentyl)-1-cyclohexyl-1H-tetrazole 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:

6-Chlor-N-cyclohexylhexanamid (50905-14-1) → 5-(5-Chloro-pentyl)-1-cyclohexyl-1H-tetrazole (78760-14-2)

Guidance literature:

With tris-(2-chloro-ethyl)-amine; phosphorus pentachloride; Yield given. Multistep reaction; 1.) r.t., 1 h, benzene, 2.) benzene, r.t., reflux, 2 h;

DOI:10.1248/cpb.31.1151

Reference yield: 40.0%

3,4-dihydro-6-hydroxy-2(1H)-quinolinone (54197-66-9) + 5-(5-Chloro-pentyl)-1-cyclohexyl-1H-tetrazole (78760-14-2) → 6-[5-(1-Cyclohexyl-1H-tetrazol-5-yl)-pentyloxy]-3,4-dihydro-1H-quinolin-2-one (86843-26-7)

Guidance literature:

With potassium hydroxide; In isopropyl alcohol; for 4h; Heating;

DOI:10.1248/cpb.31.1151

upstream raw materials:

6-Chlor-N-cyclohexylhexanamid

Downstream raw materials:

6-[5-(1-Cyclohexyl-1H-tetrazol-5-yl)-pentyloxy]-3,4-dihydro-1H-quinolin-2-one

Refernces