1-[1-(2,3,4,5,6-Pentadeuteriophenyl)cyclohexyl]piperidine

Base Information

• Chemical Name: 1-[1-(2,3,4,5,6-Pentadeuteriophenyl)cyclohexyl]piperidine
• CAS No.: 60124-86-9
• Molecular Formula: C17H20D5N
• Molecular Weight: 248.352
• European Community (EC) Number: 804-098-3
• DSSTox Substance ID: DTXSID00499177
• Wikidata: Q82349732
• Mol file: 60124-86-9.mol

Synonyms:60124-86-9;60124-79-0;Deuterated Phencyclidine;Phencyclidine, deuterated;1-[1-(2,3,4,5,6-pentadeuteriophenyl)cyclohexyl]piperidine;Phencyclidine-D5;PCP-D5;1-(1-(Phenyl-d5)cyclohexyl)piperidine hydrochloride;Piperidine, 1-(1-(phenyl-d5)cyclohexyl)-, hydrochloride;DTXSID00499177;Phencyclidine-D5 (PCP-D5) 0.1 mg/ml in Methanol;Phencyclidine-D5 (PCP-D5) 1.0 mg/ml in Methanol

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Chemical Property of 1-[1-(2,3,4,5,6-Pentadeuteriophenyl)cyclohexyl]piperidine

Chemical Property:

• Flash Point: 11 °C
• PSA: 3.24000
• LogP: 4.26980
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 248.230083531
• Heavy Atom Count: 18
• Complexity: 242

Purity/Quality:

Safty Information:

• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 36/37-45-16-7

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2(CCCCC2)N3CCCCC3)[2H])[2H]
• Uses: Labelled Phencyclidine (P295500). Anesthetic (intravenous). Controlled substance (depressant).

Technology Process of 1-[1-(2,3,4,5,6-Pentadeuteriophenyl)cyclohexyl]piperidine

There total 2 articles about 1-[1-(2,3,4,5,6-Pentadeuteriophenyl)cyclohexyl]piperidine 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-piperidinocyclohexylcarbonitrile (3867-15-0) + bromobenzene-d5 (4165-57-5) → 1-(1-d5-phenylcyclohexyl)piperidine (60124-86-9)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1248/cpb.37.1788

Reference yield:

→ 1-(1-d5-phenylcyclohexyl)piperidine (60124-86-9)

Guidance literature:

aus Phenyl-d(5)-Magnesiumbromid, 1-Piperidino-cyclohexancarbonitril;

DOI:10.1002/jlcr.2580120110

Reference yield:

Phencyclidine (77-10-1) + 1-(1-d5-phenylcyclohexyl)piperidine (60124-86-9) → N-[1-(3-hydroxyphenyl)cyclohexyl]piperidine (79787-43-2) + C17H21(2)H4NO

Guidance literature:

With glucose-6-phosphate dehydrogenase; α-D-glucose 6-phosphate; oxygen; NADPH; In water; at 37 ℃; for 0.333333h; Product distribution; competition reaction: sodium phosphate buffer, pH = 7.4;

DOI:10.1248/cpb.37.1788

upstream raw materials:

1-piperidinocyclohexylcarbonitrile

bromobenzene-d5

Downstream raw materials:

N-[1-(3-hydroxyphenyl)cyclohexyl]piperidine

Refernces