6-(3-chloro-4-fluorobenzoyl)-1-Oxa-6-azaspiro[2.5]octane-2-carbonitrile

Base Information

Chemical Name:6-(3-chloro-4-fluorobenzoyl)-1-Oxa-6-azaspiro[2.5]octane-2-carbonitrile
CAS No.:448920-97-6
Molecular Formula:C₁₄H₁₂ClFN₂O₂
Molecular Weight:294.713
Hs Code.:
DSSTox Substance ID:DTXSID301151772

Synonyms:448920-97-6;6-(3-chloro-4-fluorobenzoyl)-1-Oxa-6-azaspiro[2.5]octane-2-carbonitrile;C14H12ClFN2O2;SCHEMBL5634046;MOKQWCBSDJFHJI-UHFFFAOYSA-N;DTXSID301151772;YSA92097;MFCD26401576;AKOS037647212;AS-72850;FT-0746675

Suppliers and Price of 6-(3-chloro-4-fluorobenzoyl)-1-Oxa-6-azaspiro[2.5]octane-2-carbonitrile

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 6-(3-chloro-4-fluorobenzoyl)-1-Oxa-6-azaspiro[2.5]octane-2-carbonitrile

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:294.0571335
Heavy Atom Count:20
Complexity:455

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCC12C(O2)C#N)C(=O)C3=CC(=C(C=C3)F)Cl

Technology Process of 6-(3-chloro-4-fluorobenzoyl)-1-Oxa-6-azaspiro[2.5]octane-2-carbonitrile

There total 3 articles about 6-(3-chloro-4-fluorobenzoyl)-1-Oxa-6-azaspiro[2.5]octane-2-carbonitrile 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%

: 107-14-2
chloroacetonitrile

: 223632-64-2
1-[(3-chloro-4-fluorophenyl)carbonyl]piperidin-4-one

: 448920-97-6
6-[(3-chloro-4-fluorophenyl)carbonyl]-1-oxa-6-azaspiro[2.5]octane-2-carbonitrile

Guidance literature:: With tetrabutylammomium bromide; sodium hydroxide; In dichloromethane; water; at 20 ℃;
DOI:10.1021/acs.jmedchem.9b00062

Reference yield:

: 65055-17-6
3-chloro-4-fluorobenzoyl chloride

: 448920-97-6
6-[(3-chloro-4-fluorophenyl)carbonyl]-1-oxa-6-azaspiro[2.5]octane-2-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 1.25 h / 0 - 20 °C / Inert atmosphere

2: acetic acid tert-butyl ester; sodium hydroxide / dichloromethane; water / 1 h / 0 - 20 °C

With acetic acid tert-butyl ester; triethylamine; sodium hydroxide; In dichloromethane; water;

Reference yield:

: 403-16-7
3-chloro-4-fluorobenzoic acid

: 448920-97-6
6-[(3-chloro-4-fluorophenyl)carbonyl]-1-oxa-6-azaspiro[2.5]octane-2-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 4 h / 0 - 45 °C / Inert atmosphere

2: triethylamine / dichloromethane / 1.25 h / 0 - 20 °C / Inert atmosphere

3: acetic acid tert-butyl ester; sodium hydroxide / dichloromethane; water / 1 h / 0 - 20 °C

With thionyl chloride; acetic acid tert-butyl ester; triethylamine; N,N-dimethyl-formamide; sodium hydroxide; In dichloromethane; water;