Phenylacetone-d5

Base Information

• Chemical Name: Phenylacetone-d5
• CAS No.: 947-14-8
• Molecular Formula: C₉H₁₀O
• Molecular Weight: 139.138
• UNII: ES3WT7W93D
• DSSTox Substance ID: DTXSID10480152
• Nikkaji Number: J1.514.552H
• Mol file: 947-14-8.mol

Synonyms:Phenylacetone-d5;947-14-8;Phenylacetone D5;1,1,1,3,3-pentadeuterio-3-phenylpropan-2-one;ES3WT7W93D;2-Propanone-d5, 1-phenyl-;UNII-ES3WT7W93D;2-Propanone-1,1,1,3,3-d5, 3-phenyl-;DTXSID10480152

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Chemical Property of Phenylacetone-d5

Chemical Property:

• PSA: 17.07000
• LogP: 1.81810
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 139.104548668
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1=CC=CC=C1
• Isomeric SMILES: [2H]C([2H])([2H])C(=O)C([2H])([2H])C1=CC=CC=C1
• Uses: A labelled metabolite of Lisdexamfetamine dimesylate.

Technology Process of Phenylacetone-d5

There total 2 articles about Phenylacetone-d5 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-phenyl-2-propanol-2,2,3,3,3-d5 (53957-31-6) → Phenyl-2-propanon-1,1,3,3,3-d5 (947-14-8)

Guidance literature:

With 3,3-dimethyldioxirane; In acetone; at 0 ℃; Kinetics;

DOI:10.1016/S0040-4039(01)00539-1

Reference yield:

→ Phenyl-2-propanon-1,1,3,3,3-d5 (947-14-8)

Guidance literature:

Phenylaceton, wfr. K2CO3 in D2O;

DOI:10.1021/jo00836a011

upstream raw materials:

1-phenyl-2-propanol-2,2,3,3,3-d5