4-(Tert-butyl)piperidine hydrochloride

Base Information

• Chemical Name: 4-(Tert-butyl)piperidine hydrochloride
• CAS No.: 69682-13-9
• Molecular Formula: C9H20ClN
• Molecular Weight: 177.717
• Hs Code.: 2933399090
• European Community (EC) Number: 675-498-1
• DSSTox Substance ID: DTXSID30383313
• Mol file: 69682-13-9.mol

Synonyms:4-(tert-butyl)piperidine hydrochloride;69682-13-9;4-tert-butylpiperidine Hydrochloride;4-tert-Butyl-piperidine hydrochloride;4-tert-butylpiperidine;hydrochloride;4-tert-Butylpiperidine HCl;4-(tert-butyl)piperidine hcl;MFCD05865119;4-tert-Butylpiperidine x HCl;SCHEMBL2253109;DTXSID30383313;RWQQDIHTYQYXDX-UHFFFAOYSA-N;4-(tert-butyl)piperidinehydrochloride;AKOS015847078;SB41597;AM804243;AS-39495;CS-0139146;FT-0677813;EN300-172449;A836603;4-(tert-Butyl)piperidine hydrochloride, AldrichCPR;Piperidine, 4-(1,1-dimethylethyl)-, hydrochloride;F8880-9089

Chemical Property of 4-(Tert-butyl)piperidine hydrochloride

Chemical Property:

• Vapor Pressure: 0.931mmHg at 25°C
• Melting Point: 302 °C
• Boiling Point: 179.7 °C at 760 mmHg
• Flash Point: 54.9 °C
• PSA: 12.03000
• LogP: 3.16290
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.1284273
• Heavy Atom Count: 11
• Complexity: 95.8

Purity/Quality:

98%min ^*data from raw suppliers

4-(tert-Butyl)piperidineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1CCNCC1.Cl

Technology Process of 4-(Tert-butyl)piperidine hydrochloride

There total 2 articles about 4-(Tert-butyl)piperidine 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: 93.0%

4-tert-butylpyridine (3978-81-2) → 4-(tert-butyl)piperidine hydrochloride (69682-13-9)

Guidance literature:

With hydrogenchloride; platinum(IV) oxide; hydrogen; In methanol; at 20 ℃; for 36h; under 760.051 Torr;

DOI:10.1002/ejoc.201900399

Reference yield: 92.0%

4-(tert-butyl)pyridin-1-ium chloride (65520-02-7) → 4-(tert-butyl)piperidine hydrochloride (69682-13-9)

Guidance literature:

With platinum(IV) oxide; hydrogen; In ethanol; at 22 ℃; for 15h; under 25858.1 Torr;

Reference yield: 98.0%

4-(tert-butyl)piperidine hydrochloride (69682-13-9) + benzoyl chloride (98-88-4) → N-benzoyl-4-tert-butylpiperidine (787-50-8)

Guidance literature:

With sodium hydroxide; In diethyl ether; water; at 20 ℃; for 12h; Cooling with ice;

DOI:10.1016/j.tet.2014.04.047

upstream raw materials:

4-(tert-butyl)pyridin-1-ium chloride

4-tert-butylpyridine

Downstream raw materials:

N-[(1S)-1-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]-2,2,2-trifluoroethyl]methanesulfonamide hydrochloride

N-[(1S)-1-{4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl}-2,2,2-trifluoroethyl]methanesulfonamide

4-tert-butylpiperidine

N-benzoyl-4-tert-butylpiperidine

Refernces

• 1、 Budesinsky, Milo?,Vaněk, Václav,Dra?ínsky, Martin,Pohl, Radek,Po?tová-Slavětínská, Lenka,Sychrovsky, Vladimír,Pícha, Jan,Císa?ová, Ivana. "Determination of the configuration in six-membered saturated heterocycles (N, P, S, Se) and their oxidation products using experimental and calculated NMR chemical shifts". . p. 3871 - 3886. Retrieved 2014/06/09.