Tiletamine

Base Information

• Chemical Name: Tiletamine
• CAS No.: 14176-49-9
• Molecular Formula: C₁₂H₁₇NOS
• Molecular Weight: 223.339
• European Community (EC) Number: 238-031-9
• UNII: 2YFC543249
• DSSTox Substance ID: DTXSID5048552
• Nikkaji Number: J8.486G
• Wikipedia: Tiletamine
• Wikidata: Q2083144
• NCI Thesaurus Code: C84211
• Metabolomics Workbench ID: 152709
• ChEMBL ID: CHEMBL2110703
• Mol file: 14176-49-9.mol

Synonyms:2-(Ethylamino)-2-(2-thienyl)cyclohexanone;CI 634;CI-634;CI634;Hydrochloride, Tiletamine;Tiletamine;Tiletamine Hydrochloride

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Chemical Property of Tiletamine

Chemical Property:

• Vapor Pressure: 3.79E-05mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 352.6 °C at 760 mmHg
• PKA: 6.78±0.20(Predicted)
• Flash Point: 167.1 °C
• PSA: 57.34000
• Density: 1.12 g/cm³
• LogP: 3.08690
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 223.10308534
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1(CCCCC1=O)C2=CC=CS2

Technology Process of Tiletamine

There total 5 articles about Tiletamine 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: 68.0%

2-amino-2-(thiophen-2-yl)cyclohexan-1-one (14176-52-4) + acetaldehyde (75-07-0,9002-91-9) → Tiletamine (14176-49-9)

Guidance literature:

With sodium cyanoborohydride; acetic acid; In methanol; at 20 ℃; for 2h;

Reference yield:

(1R*,2S*)-2-(ethylamino)-2-(2-thienyl)cyclohexanol → Tiletamine (14176-49-9)

Guidance literature:

With Jones reagent; In acetone; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1055/s-0035-1561294

Reference yield:

2-nitrocyclohexanone (4883-67-4) → Tiletamine (14176-49-9)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydroxide / dichloromethane / 4 h / 80 °C / Sealed tube; Inert atmosphere

2: acetic acid; zinc / isopropyl alcohol / 20 °C

3: acetic acid; sodium cyanoborohydride / methanol / 2 h / 20 °C

With sodium cyanoborohydride; acetic acid; sodium hydroxide; zinc; In methanol; dichloromethane; isopropyl alcohol;

upstream raw materials:

2-amino-2-(thiophen-2-yl)cyclohexan-1-one

acetaldehyde

2-nitrocyclohexanone

Refernces

• 1、 An, Yang,Zhang, Xiao-Ming,Li, Ze-Yu,Xiong, Wen-Hui,Yu, Run-Dong,Zhang, Fu-Min. "Transition-metal-free α-arylation of nitroketones with diaryliodonium salts for the synthesis of tertiary α-aryl, α-nitro ketones". . p. 119 - 122. Retrieved 2019/01/03.