2-Azido-1-phenyl-1-propanone

Base Information

• Chemical Name: 2-Azido-1-phenyl-1-propanone
• CAS No.: 35947-99-0
• Molecular Formula: C9H9N3O
• Molecular Weight: 175.19
• DSSTox Substance ID: DTXSID50447183
• Nikkaji Number: J587.266I
• Mol file: 35947-99-0.mol

Synonyms:2-azido-1-phenyl-1-propanone;2-azido-1-phenylpropan-1-one;35947-99-0;alpha-azidopropiophenone;SCHEMBL16977392;DTXSID50447183;JHNYDLDDKDAYPX-UHFFFAOYSA-N;AKOS019036823

Chemical Property of 2-Azido-1-phenyl-1-propanone

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 175.074561919
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)C1=CC=CC=C1)N=[N+]=[N-]

Technology Process of 2-Azido-1-phenyl-1-propanone

There total 10 articles about 2-Azido-1-phenyl-1-propanone 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: 95.0%

2-bromo-1-phenyl-1-propanone (2114-00-3) → 2-azido-1-phenyl-1-propanone (35947-99-0)

Guidance literature:

With sodium azide; In methanol; Ambient temperature;

DOI:10.1021/jo00105a060

Reference yield: 95.0%

4-Nitro-benzenesulfonic acid 1-methyl-2-oxo-2-phenyl-ethyl ester (98990-64-8) → 2-azido-1-phenyl-1-propanone (35947-99-0)

Guidance literature:

With sodium azide; In butanone; for 1.41667h; Ambient temperature;

DOI:10.1021/jo00089a043

Reference yield: 85.0%

1-phenyl-propan-1-one (93-55-0) → 2-azido-1-phenyl-1-propanone (35947-99-0)

Guidance literature:

With sodium azide; 4,4'-bis-(dichloroiodo)-biphenyl; triethylamine; In 1,4-dioxane; for 3h; Reflux;

DOI:10.1080/00397910903531888

upstream raw materials:

2-bromo-1-phenyl-1-propanone

1-phenylpropene

4-Nitro-benzenesulfonic acid 1-methyl-2-oxo-2-phenyl-ethyl ester

1-phenyl-propan-1-one

Downstream raw materials:

2-methyl-3-phenylquinoxaline

2-phenyl-1H-benzoimidazole

C₂₇H₂₄NOP

Benzoyl-3-hydroxy-4-methyl-3-dihydro-3,4-isoquinoleine

Refernces

• 1、 Lee, Jeong Min,Bae, Dae Young,Park, Jin Yong,Jo, Hwi Yul,Lee, Eunsung,Rhee, Young Ho,Park, Jaiwook. "Concurrent Formation of N-H Imines and Carbonyl Compounds by Ruthenium-Catalyzed C-C Bond Cleavage of β-Hydroxy Azides". supporting information. p. 4608 - 4613. Retrieved 2020/06/05.
• 2、 Yokoi, Taiki,Tanimoto, Hiroki,Ueda, Tomomi,Morimoto, Tsumoru,Kakiuchi, Kiyomi. "Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds". . p. 12103 - 12121. Retrieved 2018/10/09.