4-Phenyl-1,5,9-triazacyclotridecan-2-one

Base Information

Chemical Name:4-Phenyl-1,5,9-triazacyclotridecan-2-one
CAS No.:110425-69-9
Molecular Formula:C16H25N3O
Molecular Weight:275.394
Hs Code.:
DSSTox Substance ID:DTXSID30546224
Nikkaji Number:J1.809.108I
Mol file:110425-69-9.mol

Synonyms:4-phenyl-1,5,9-triazacyclotridecan-2-one;110425-69-9;DTXSID30546224;3-phenyl-4,8,13-triazacyclotridecan-1-on

Suppliers and Price of 4-Phenyl-1,5,9-triazacyclotridecan-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-Phenyl-1,5,9-triazacyclotridecan-2-one

Chemical Property:

XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:275.199762429
Heavy Atom Count:20
Complexity:277

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCNC(=O)CC(NCCCNC1)C2=CC=CC=C2

Technology Process of 4-Phenyl-1,5,9-triazacyclotridecan-2-one

There total 10 articles about 4-Phenyl-1,5,9-triazacyclotridecan-2-one 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: 74.0%

: methyl 3-phenyl-4,8,13-triazatridecanoate

: 110425-69-9
4-phenyl-1,5,9-triazacyclotridecan-2-one

Guidance literature:: With tris(dimethylamino)borane; In xylene; at 145 ℃; for 8h;
DOI:10.1021/ja953541a

Reference yield: 14.0%

: 110425-68-8
1-(4-aminobutyl)-4-phenyl-1,5-diazacyclooctan-2-one

: 110425-69-9
4-phenyl-1,5,9-triazacyclotridecan-2-one

Guidance literature:: With potassium hexamethylsilazane; In tetrahydrofuran; toluene; 1.) 0 deg C, 1 h, 2.) RT, 23 h;

Reference yield:

: 154218-88-9
N-(3-bromopropyl)-4-phenylazetidin-2-one

: 110425-69-9
4-phenyl-1,5,9-triazacyclotridecan-2-one

Guidance literature:: Multi-step reaction with 4 steps

1: 81 percent / NH₃ liquid / 48 h / Ambient temperature

2: 88 percent / potassium bis(triphenylsilyl)amide / tetrahydrofuran / 24 h

3: 89 percent / NH₃ liquid / 168 h / Ambient temperature

4: 14 percent / potassium bis(trimethylsilyl)amide / toluene; tetrahydrofuran / 1.) 0 deg C, 1 h, 2.) RT, 23 h

With potassium bis(triphenylsilyl)amide; ammonia; potassium hexamethylsilazane; In tetrahydrofuran; toluene;