| Identification | Back Directory | [Name]
Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI) | [CAS]
154748-49-9 | [Synonyms]
3-(Boc-amino)cycL
3-(Boc-amino)cyclobutanone
tert-butyl 3-oxocyclobuty...
3-(Boc-amino)-1-cyclobutanone
ert-Butyl3-oxocyclobutylcarbamate
Tert-butyl3-oxocyclobutylcarbamate
tert-butyl N-(3-oxocyclobutyl)carbaMate
3-(Boc-aMino)cyclobutanone
3-(tert-ButoxycarbonylaMino)-1-cyclobutanone
3-(tert-Butyloxycarbonylamino)cyclobutan-1-one
3-(tert-Butoxycarbonylamino)-1-cyclobutanone >
(3-Oxo-cyclobutyl)-carbamic acid tert-butyl ester
3-OXOCYCLOBUTYLCARBAMIC ACID, 1,1-DIMETHYLETHYL ESTER
CarbaMic acid,(3-oxocyclobutyl)-,1,1-diMethylethylester
CarbaMic acid, N-(3-oxocyclobutyl)-, 1,1-diMethylethyl ester
Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI)
Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI) ISO 9001：2015 REACH | [EINECS(EC#)]
817-050-1 | [Molecular Formula]
C9H15NO3 | [MDL Number]
MFCD09751872 | [MOL File]
154748-49-9.mol | [Molecular Weight]
185.22 |
| Questions And Answer | Back Directory | [Preparation]
The reaction proceeds from 3-oxocyclobutanecarboxylic acid via a three-step process of chlorination, substitution, and rearrangement to yield Carbamic acid, (3-oxocyclobutyl)-, 1,1-dimethylethyl ester (9CI). The reaction involves multiple purification steps using column chromatography and highly toxic reagents such as NaN3, making it unsuitable for industrial production. | [Form]
Solid |
| Chemical Properties | Back Directory | [Melting point ]
120-125℃ | [Boiling point ]
302.1±31.0 °C(Predicted) | [density ]
1.10±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
11.60±0.20(Predicted) | [color ]
Light yellow to Yellow to Orange | [InChI]
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6H,4-5H2,1-3H3,(H,10,12) | [InChIKey]
FNHPTFKSPUTESA-UHFFFAOYSA-N | [SMILES]
C(OC(C)(C)C)(=O)NC1CC(=O)C1 |
| Hazard Information | Back Directory | [Uses]
tert-Butyl (3-Oxocyclobutyl)carbamate is used in the preparation of 5-HT1-like receptor agonists. It is also used to synthesize (oxadiazolyl)quinoline derivatives as highly potent HCV NS4B inhibitors. |
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