Home Cart 0 Sign in  

[ CAS No. 94-08-6 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 94-08-6
Chemical Structure| 94-08-6
Structure of 94-08-6 *Storage: {[proInfo.prStorage]}

Quality Control of [ 94-08-6 ]

Related Doc. of [ 94-08-6 ]

SDS
Alternatived Products of [ 94-08-6 ]
Alternatived Products of [ 94-08-6 ]

Product Details of [ 94-08-6 ]

CAS No. :94-08-6MDL No. :MFCD00009117
Formula : C10H12O2 Boiling Point : 235.7°C at 760 mmHg
Linear Structure Formula :CH3C6H4COOC2H5InChI Key :N/A
M.W :164.20Pubchem ID :66743
Synonyms :

Computed Properties of [ 94-08-6 ]

TPSA : 26.3 H-Bond Acceptor Count : 2
XLogP3 : - H-Bond Donor Count : 0
SP3 : 0.30 Rotatable Bond Count : 3

Safety of [ 94-08-6 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 94-08-6 ]

  • Upstream synthesis route of [ 94-08-6 ]
  • Downstream synthetic route of [ 94-08-6 ]

[ 94-08-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 109-72-8 ]
  • [ 94-08-6 ]
  • [ 1671-77-8 ]
YieldReaction ConditionsOperation in experiment
91%
Stage #1: With morpholine; diisobutylaluminium hydride In tetrahydrofuran; hexane at 0℃; for 3.16667 h; Inert atmosphere
Stage #2: at 0℃; for 0.166667 h; Inert atmosphere
General procedure: The following experimental procedure for the synthesis of 1-phenylpentanone is representative. A dry and argon-flushed flask, equipped with a magnetic stirring bar and a septum, was charged with morpholine (0.18mL, 2.1mmol) and 10mL THF. After cooling to 0°C, DIBALH (2.0mL, 1.0M in hexane, 2.0mmol) was added dropwise and stirred for 3h at same temperature. To a reaction mixture was slowly added ethyl benzoate (0.14g, 1.0mmol) and stirred for 10min. Then, n-BuLi (1.25mL, 1.6M in hexane, 2.0mmol) was added and the mixture was stirred for 10min again. The reaction was stopped by the aqueous 1N HCl (10mL) and extracted with diethyl ether (2×10mL). The combined organic layers were dried over MgSO4, filtered, and concentrated under reduced pressure. Purification of the residue by column chromatography on silica gel yielded 1-phenylpentanone (150mg, 92percent).
Reference: [1] Tetrahedron, 2014, vol. 70, # 29, p. 4420 - 4424
Historical Records

Related Functional Groups of
[ 94-08-6 ]

Aryls

Chemical Structure| 13222-85-0

[ 13222-85-0 ]

4-Methylbenzoic anhydride

Similarity: 0.98

Chemical Structure| 93-97-0

[ 93-97-0 ]

Benzoic anhydride

Similarity: 0.98

Chemical Structure| 18699-48-4

[ 18699-48-4 ]

Diisobutyl terephthalate

Similarity: 0.98

Chemical Structure| 94-50-8

[ 94-50-8 ]

Octyl Benzoate

Similarity: 0.95

Chemical Structure| 64904-47-8

[ 64904-47-8 ]

2-Oxoethyl benzoate

Similarity: 0.95

Esters

Chemical Structure| 72985-23-0

[ 72985-23-0 ]

6-Methylisobenzofuran-1(3H)-one

Similarity: 0.98

Chemical Structure| 13222-85-0

[ 13222-85-0 ]

4-Methylbenzoic anhydride

Similarity: 0.98

Chemical Structure| 23405-32-5

[ 23405-32-5 ]

Methyl 1-oxo-1,3-dihydroisobenzofuran-5-carboxylate

Similarity: 0.98

Chemical Structure| 93-97-0

[ 93-97-0 ]

Benzoic anhydride

Similarity: 0.98

Chemical Structure| 54120-64-8

[ 54120-64-8 ]

5-Methylisobenzofuran-1(3H)-one

Similarity: 0.98