5-(4-Chlorobutyl)-1-Cyclohexyl-1H-Tetrazole

Base Information

• Chemical Name: 5-(4-Chlorobutyl)-1-Cyclohexyl-1H-Tetrazole
• CAS No.: 73963-42-5
• Molecular Formula: C11H19ClN4
• Molecular Weight: 242.752
• Hs Code.: 2933990090
• European Community (EC) Number: 616-036-0
• DSSTox Substance ID: DTXSID20459132
• Nikkaji Number: J94.734B
• Wikidata: Q72517643
• Mol file: 73963-42-5.mol

Synonyms:73963-42-5;5-(4-Chlorobutyl)-1-Cyclohexyl-1H-Tetrazole;1-Cyclohexyl-5-(4-chlorobutyl)-1H-tetrazole;5-(4-CHLOROBUTYL)-1-CYCLOHEXANYL TETRAZOLE;5-(4-chlorobutyl)-1-cyclohexyltetrazole;1H-Tetrazole, 5-(4-chlorobutyl)-1-cyclohexyl-;5-(4-Chlorobuty)-1-Cyclohexyl Tetrazol;EC 616-036-0;C11H19ClN4;5-(4-Chlorobuty)-1-cyclohexyl tetrazole;5-(4-chlorobutyl)-1-cyclohexyl-tetrazole;1-cyclohexyl-5-(4-chlorobutyl)tetrazole;SCHEMBL1031402;DTXSID20459132;INTQSGGUSUSCTJ-UHFFFAOYSA-N;AMY13545;MFCD01076191;AKOS015850585;AC-4335;AM90306;AS-12402;1-cyclohexyl-5-(4-chlorobutyl) tetrazole;1-Cyclohexyl-5-(4-chlorobutyl)-tetrazole;5-(4-Chlorobutyl)-1-Cyclohexanyltetrazole;5-(4chlorobutyl)-1-cyclohexyl-1H-tetrazole;C2013;CS-0210299;FT-0664587;D87626;A837981;J-516221;1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole;5-(4-chlorobutyl)-1-cyclohexyl-1H-1,2,3,4-tetrazole;5-(4-Chlorobuty)-1-Cyclohexyl;6-HYDROXY-3 pound not4-DIHYDROQUINOLONE;5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole;1-Cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole;1-Cyclohexyl-5-(4-chlorobutyl)tetrazole

Chemical Property of 5-(4-Chlorobutyl)-1-Cyclohexyl-1H-Tetrazole

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 1.95E-07mmHg at 25°C
• Melting Point: 49-52 °C
• Refractive Index: 1.622
• Boiling Point: 425.2 °C at 760 mmHg
• PKA: 1.23±0.10(Predicted)
• Flash Point: 210.9 °C
• PSA: 43.60000
• Density: 1.29 g/cm³
• LogP: 2.73980
• Storage Temp.: -20°C Freezer
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 242.1298243
• Heavy Atom Count: 16
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

5-(4-Chlorobutyl)-1-cyclohexyltetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2C(=NN=N2)CCCCCl
• Uses: An impurity of Cilostazol. An impurity of Cilostazol (C441500(P)), which is a potent phosphodiesterase III A (PDE3A) inhibitor (IC50=0.2uM) and inhibitor of adenosine uptake. Has antimitogenic, antithrombotic, vasodilatory and cardiotonic properties and affects lipid levels in vivo.

Technology Process of 5-(4-Chlorobutyl)-1-Cyclohexyl-1H-Tetrazole

There total 3 articles about 5-(4-Chlorobutyl)-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: 93.0%

N-(5-chloro-n-pentanoyl)cyclohexylamine (15865-18-6) → 1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole (73963-42-5)

Guidance literature:

N-(5-chloro-n-pentanoyl)cyclohexylamine; With phosphorus pentachloride; In toluene; at 20 ℃; for 3h;

With trimethylsilylazide; at 20 ℃; for 16h;

Reference yield: 65.0%

5-chloro-valeric acid (1119-46-6) + cyclohexylamine (108-91-8,157973-60-9) → 1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole (73963-42-5)

Guidance literature:

With trimethylsilylazide; trichlorophosphate; In acetonitrile; at 120 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1002/ejoc.201600317

Reference yield:

phosphorus pentachloride (10026-13-8,874483-75-7) + N-(5-chloro-n-pentanoyl)cyclohexylamine (15865-18-6) → 1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole (73963-42-5)

Guidance literature:

With hydrogen azide; In ethyl acetate; benzene;

upstream raw materials:

N-(5-chloro-n-pentanoyl)cyclohexylamine

phosphorus pentachloride

5-chloro-valeric acid

cyclohexylamine

Downstream raw materials:

6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydrocarbostyril

OPC 13015

6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)-butoxy]-1-[4-(1-cyclohexyl-1H-tetrazol-5-yl)-butyl]-3,4-dihydro-1H-quinolin-2-one

1,6-bis[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-1H-quinolin-2-one

Refernces

• 1、 Chandgude, Ajay L.,D?mling, Alexander. "Convergent Three-Component Tetrazole Synthesis". . p. 2383 - 2387. Retrieved 2016/06/01.
• 2、 -. "Imidazopyridine derivatives and pharmaceutical compositions". . . Retrieved 2008/06/13.