4-(3-Azidopropyl)-2,4,6-trimethylcyclohexa-2,5-dien-1-one

Base Information

Chemical Name:4-(3-Azidopropyl)-2,4,6-trimethylcyclohexa-2,5-dien-1-one
CAS No.:86013-53-8
Molecular Formula:C12H17N3O
Molecular Weight:219.286
Hs Code.:
DSSTox Substance ID:DTXSID90518528

Synonyms:86013-53-8;4-(3-Azidopropyl)-2,4,6-trimethylcyclohexa-2,5-dien-1-one;DTXSID90518528

Suppliers and Price of 4-(3-Azidopropyl)-2,4,6-trimethylcyclohexa-2,5-dien-1-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-(3-Azidopropyl)-2,4,6-trimethylcyclohexa-2,5-dien-1-one

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:219.137162174
Heavy Atom Count:16
Complexity:379

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-(3-Azidopropyl)-2,4,6-trimethylcyclohexa-2,5-dien-1-one

There total 2 articles about 4-(3-Azidopropyl)-2,4,6-trimethylcyclohexa-2,5-dien-1-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: 95.0%

: 86013-52-7
4<3-(Mesyloxy)propyl>-2,4,6-trimethyl-2,5-cyclohexadien-1-one

: 86013-53-8
4-(3-Azidopropyl)-2,4,6-trimethyl-2,5-cyclohexadien-1-one

Guidance literature:: With sodium azide; In N,N-dimethyl-formamide; for 50h; Ambient temperature;
DOI:10.1021/jo00162a032

Reference yield:

: 67471-86-7
4-(3-hydroxypropyl)-2,4,6-trimethyl-2,5-cyclohexadien-1-one

: 86013-53-8
4-(3-Azidopropyl)-2,4,6-trimethyl-2,5-cyclohexadien-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / triethylamine / CH₂Cl₂ / 0.25 h / 0 °C

2: 95 percent / sodium azide / dimethylformamide / 50 h / Ambient temperature

With sodium azide; triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jo00162a032