3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal

Modify Date: 2025-09-04 12:19:15

3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal Structure
3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal structure
 Common Name 3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal
CAS Number 5259-69-8 Molecular Weight 140.18300
Density 1.11g/cm3 Boiling Point 309.5ºC at 760 mmHg
Molecular Formula C7H12N2O Melting Point N/A
MSDS N/A Flash Point 141ºC

 Names

Name 1-(hydroxyamino)cyclohexane-1-carbonitrile

 Chemical & Physical Properties

Density 1.11g/cm3
Boiling Point 309.5ºC at 760 mmHg
Molecular Formula C7H12N2O
Molecular Weight 140.18300
Flash Point 141ºC
Exact Mass 140.09500
PSA 56.05000
LogP 1.58258
Index of Refraction 1.51
InChIKey IJPWQVLCMYLVHW-UHFFFAOYSA-N
SMILES N#CC1(NO)CCCCC1

 Safety Information

HS Code 2926909090

 Synthetic Route

Cyclohexanone oxime structure

Cyclohexanone oxime

CAS#:100-64-1

Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

~%

3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal Structure

3-[3-(2,2-dimet...

CAS#:5259-69-8

Literature: Neelakantan; Hartung Journal of Organic Chemistry, 1958 , vol. 23, p. 964,967
Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

Cyclohexanone structure

Cyclohexanone

CAS#:108-94-1

~%

3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal Structure

3-[3-(2,2-dimet...

CAS#:5259-69-8

Literature: Neelakantan; Hartung Journal of Organic Chemistry, 1958 , vol. 23, p. 964,967
Cyclohexanecarbonitrile,1-(dimethylamino) structure

Cyclohexanecarb...

CAS#:16499-30-2

~%

3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal Structure

3-[3-(2,2-dimet...

CAS#:5259-69-8

Literature: Hollander et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 1112,1113
Cyclohexanone structure

Cyclohexanone

CAS#:108-94-1

~%

3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal Structure

3-[3-(2,2-dimet...

CAS#:5259-69-8

Literature: Hollander et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 1112,1113
Cyclohexanone oxime structure

Cyclohexanone oxime

CAS#:100-64-1

HYDROGEN CYANIDE structure

HYDROGEN CYANIDE

CAS#:74-90-8

~%

3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal Structure

3-[3-(2,2-dimet...

CAS#:5259-69-8

Literature: Wichterle; Gregor Collection of Czechoslovak Chemical Communications, 1959 , vol. 24, p. 1158,1163
1-(trimethylsilyloxyamino)cyclohexane-1-carbonitrile structure

1-(trimethylsil...

CAS#:62281-25-8

~%

3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal Structure

3-[3-(2,2-dimet...

CAS#:5259-69-8

Literature: Ojima,I. et al. Chemistry Letters, 1975 , p. 331 - 334
Cyclohexanone oxime structure

Cyclohexanone oxime

CAS#:100-64-1

~%

3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal Structure

3-[3-(2,2-dimet...

CAS#:5259-69-8

Literature: Ojima,I. et al. Chemistry Letters, 1975 , p. 331 - 334
1-(1-cyanocyclohexyl)-1-hydroxy-3-phenyl-urea structure

1-(1-cyanocyclo...

CAS#:57910-94-8

tert-Butylamine structure

tert-Butylamine

CAS#:75-64-9

~%

3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal Structure

3-[3-(2,2-dimet...

CAS#:5259-69-8

1-tert-butyl-3-phenylurea structure

1-tert-butyl-3-...

CAS#:15054-54-3

Detail
Literature: Camehn, Rainer; Rehse, Klaus Archiv der Pharmazie, 2000 , vol. 333, # 1 p. 27 - 31

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Bioassay

View more

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Chemsrc provides CAS#:5259-69-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal>> amp version: 3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal

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