5-(3-Chloropropyl)-1-cyclohexyltetrazole

Base Information

• Chemical Name: 5-(3-Chloropropyl)-1-cyclohexyltetrazole
• CAS No.: 73963-29-8
• Molecular Formula: C10H17ClN4
• Molecular Weight: 228.72200
• DSSTox Substance ID: DTXSID90410154
• Wikidata: Q82216237
• Mol file: 73963-29-8.mol

Synonyms:5-(3-chloropropyl)-1-cyclohexyltetrazole;73963-29-8;5-(3-chloropropyl)-1-cyclohexyl-1H-tetrazole;SCHEMBL7318244;DTXSID90410154;KKLPBIXVEVQXTF-UHFFFAOYSA-N;AKOS024408820;1-cyclohexyl-5-gamma-chloropropyltetrazole

Chemical Property of 5-(3-Chloropropyl)-1-cyclohexyltetrazole

Chemical Property:

• PSA: 43.60000
• LogP: 2.34970
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.1141743
• Heavy Atom Count: 15
• Complexity: 184

Purity/Quality:

5-(3-Chloropropyl)-1-cyclohexyltetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2C(=NN=N2)CCCCl
• Uses: 5-(3-Chloropropyl)-1-cyclohexyltetrazole is a reactant used in the synthesis of 5-(3-aryloxypropyl)-1-cyclohexyltetrazole derivatives with inhibitory activity towards collagen- and adenosinediphosphate-induced aggregation of rabbit blood platelet in vitro.

Technology Process of 5-(3-Chloropropyl)-1-cyclohexyltetrazole

There total 1 articles about 5-(3-Chloropropyl)-1-cyclohexyltetrazole 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:

N-(4-chlorobutyryl)cyclohexylamine (69601-43-0) → 5-(3-chloropropyl)-1-cyclohexyltetrazole (73963-29-8)

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: 74.0%

3-hydroxyquinolin-2(1H)-one (26386-86-7) + 5-(3-chloropropyl)-1-cyclohexyltetrazole (73963-29-8) → 3-[3-(1-Cyclohexyl-1H-tetrazol-5-yl)-propoxy]-1H-quinolin-2-one (85163-74-2)

Guidance literature:

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

DOI:10.1248/cpb.31.1151

Reference yield: 66.0%

2-nitro-5-hydroxybenzaldehyde (42454-06-8) + 5-(3-chloropropyl)-1-cyclohexyltetrazole (73963-29-8) → 5-<3-(1-cyclohexyl-5-tetrazolyl)propoxy>-2-nitrobenzaldehyde (105728-45-8)

Guidance literature:

With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1021/jm00385a012

upstream raw materials:

N-(4-chlorobutyryl)cyclohexylamine

Downstream raw materials:

4-[3-(1-Cyclohexyltetrazol-5-yl)propoxy]carbostyril

8-[3-(1-Cyclohexyltetrazol-5-yl)propoxy]-3,4-dihydrocarbostyril

6-<3-(1-cyclohexyl-5-tetrazolyl)propoxy>-2-oxo-1,2,3,4-tetrahydroquinoline

7-[3-(1-Cyclohexyltetrazol-5-yl)propoxy]-3,4-dihydrocarbostyril

Refernces