3-Azidohexahydro-1-[(4-methylphenyl)sulfonyl]-4H-azepin-4-one

Base Information

Chemical Name:3-Azidohexahydro-1-[(4-methylphenyl)sulfonyl]-4H-azepin-4-one
CAS No.:171009-44-2
Molecular Formula:C₁₃H₁₆N₄O₃S
Molecular Weight:308.361
Hs Code.:
DSSTox Substance ID:DTXSID901181478

Synonyms:DTXSID901181478;3-Azidohexahydro-1-[(4-methylphenyl)sulfonyl]-4H-azepin-4-one;171009-44-2

Suppliers and Price of 3-Azidohexahydro-1-[(4-methylphenyl)sulfonyl]-4H-azepin-4-one

Supply Marketing:

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

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Chemical Property of 3-Azidohexahydro-1-[(4-methylphenyl)sulfonyl]-4H-azepin-4-one

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:308.09431156
Heavy Atom Count:21
Complexity:528

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=O)C(C2)N=[N+]=[N-]

Technology Process of 3-Azidohexahydro-1-[(4-methylphenyl)sulfonyl]-4H-azepin-4-one

There total 3 articles about 3-Azidohexahydro-1-[(4-methylphenyl)sulfonyl]-4H-azepin-4-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: 80.0%

: 171009-43-1
3-bromo-1-(4'-methylphenylsulfonyl)azepan-4-one

: 171009-44-2
3-azido-1-(4'-methylphenylsulfonyl)azepan-4-one

Guidance literature:: With sodium azide; acetic acid; In N,N-dimethyl-formamide; at 20 ℃; for 16h; Inert atmosphere;
DOI:10.1021/jm100736h

Reference yield:

: 33439-27-9
N-tosyl-4-piperidone

: 171009-44-2
3-azido-1-(4'-methylphenylsulfonyl)azepan-4-one

Guidance literature:: Multi-step reaction with 4 steps

1: 98 percent / Br₂ / CH₂Cl₂ / -4 deg C, 90 min; 0 deg C, 30 min; room temperature, 1 h

2: 71 percent / BF₃-Et₂O / CH₂Cl₂ / -5 deg C -> room temperature, 90 min

3: 90 percent / HCl / H₂O; dioxane / 7 h / Heating

4: 73 percent / NaN₃ / acetic acid; dimethylformamide / 19.5 h / Ambient temperature

With hydrogenchloride; sodium azide; boron trifluoride diethyl etherate; bromine; In 1,4-dioxane; dichloromethane; water; acetic acid; N,N-dimethyl-formamide;

Reference yield:

: 171009-42-0
3-bromo-5-ethoxycarbonyl-1-(4'-methylphenylsulfonyl)azepan-4-one

: 171009-44-2
3-azido-1-(4'-methylphenylsulfonyl)azepan-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / HCl / H₂O; dioxane / 7 h / Heating

2: 73 percent / NaN₃ / acetic acid; dimethylformamide / 19.5 h / Ambient temperature

With hydrogenchloride; sodium azide; In 1,4-dioxane; water; acetic acid; N,N-dimethyl-formamide;