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Cas Database

39581-96-9

39581-96-9

Identification

  • Product Name:2-ethyl-1-phenyl-butane-1,3-dione

  • CAS Number: 39581-96-9

  • EINECS:

  • Molecular Weight:190.242

  • Molecular Formula: C12H14O2

  • HS Code:

  • Mol File:39581-96-9.mol

Synonyms:

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Safety information and MSDS view more

  • Signal Word:no data available

  • Hazard Statement:no data available

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

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Relevant articles and documentsAll total 3 Articles be found

Palladium(II)- and platinum(II)-catalyzed addition of stabilized carbon nucleophiles to ethylene and propylene

Wang, Xiang,Widenhoefer, Ross A.

, p. 660 - 661 (2004)

PdCl2(CH3CN)2 and [PtCl2(H 2C=CH2)]2 catalyze the addition of β-dicarbonyl compounds to ethylene and propylene.

Rhodium promoted isomerisation of allylic alkoxides: A new method for enolate anion formation

Gazzard, Lewis J.,Motherwell, William B.,Sandham, David A.

, p. 979 - 993 (2007/10/03)

Transition metal mediated isomerisation of allylic alkoxides is presented as a new method for enolate anion generation. The scope and limitations of enolate formation with the catalysts [Rh(dppe)(THF)2]+ClO4- and (Ph3P)3RhCl are explored and the synthetic potential of the methodology demonstrated in the stereoselective formation and reactions of certain ketone and aldehyde enolates.

TRAPPING REACTION OF ENOLATES FROM LITHIUM DIMETHYLCUPRATE CONJUGATED ADDITION: IMPORTANCE OF STERIC FACTORS AND, PARTICULARLY, OF β-SUBSTITUTION OF ENONE IN THE C- vs. O-ACYLATION

Bernasconi, Silvana,Jommi, Giancarlo,Montanari, Stefania,Sisti, Massimo

, p. 125 - 128 (2007/10/02)

Conjugated addition of lithium dimethylcuprate to α,β-unsaturated ketones gives intermediate enolates which, treated with acetyl chloride, undergo O- and/or C-acylation depending on the substitution at the enone β-carbon.Results agree with the hypothesis that C-acylation proceeds through an intramolecular metal-assisted mechanism.

Process route upstream and downstream products

Process route

ethene
74-85-1

ethene

1-phenylbutan-1,3-dione
93-91-4

1-phenylbutan-1,3-dione

2-ethyl-1-phenyl-1,3-butanedione
39581-96-9

2-ethyl-1-phenyl-1,3-butanedione

Conditions
Conditions Yield
With hydrogenchloride; trans-dichloro-bis(ethene)(μ-dichloro)diplatinum(II); In 1,4-dioxane; at 90 ℃; under 2585.81 Torr;
72%
sodium benzoylacetonate

sodium benzoylacetonate

ethyl iodide
75-03-6

ethyl iodide

2-ethyl-1-phenyl-1,3-butanedione
39581-96-9

2-ethyl-1-phenyl-1,3-butanedione

Conditions
Conditions Yield
With acetone;
With 1,4-dioxane;
Gleichgewichtsgemisch;
1-phenylbut-2-yn-1-ol
32398-66-6

1-phenylbut-2-yn-1-ol

2-ethyl-1-phenyl-1,3-butanedione
39581-96-9

2-ethyl-1-phenyl-1,3-butanedione

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: 93 percent / H2, quinoline / Pd-BaSO4 / hexane / 2 h / 0 °C
2: 1.) n-BuLi / 1.) ClO4 / 1.) THF, hexane, reflux, 6 h, 2.) THF, hexane
With quinoline; n-butyllithium; hydrogen; (bicyclo[2.2.1]hepta-2,5-diene)(1,2-bis(diphenylphosphanyl)ethane)rhodium(I) perchlorate; palladium on barium sulfate; In hexane;
diethyl sulfate
64-67-5

diethyl sulfate

1-phenylbutan-1,3-dione
93-91-4

1-phenylbutan-1,3-dione

2-ethyl-1-phenyl-1,3-butanedione
39581-96-9

2-ethyl-1-phenyl-1,3-butanedione

Conditions
Conditions Yield
With ethanol; sodium ethanolate;
(Z)-1-phenyl-but-2-en-1-ol
52755-38-1

(Z)-1-phenyl-but-2-en-1-ol

acetic anhydride
108-24-7

acetic anhydride

2-ethyl-1-phenyl-1,3-butanedione
39581-96-9

2-ethyl-1-phenyl-1,3-butanedione

(Z)-1-Phenylbut-2-en-1-yl acetate
97996-32-2

(Z)-1-Phenylbut-2-en-1-yl acetate

Conditions
Conditions Yield
With n-butyllithium; (bicyclo[2.2.1]hepta-2,5-diene)(1,2-bis(diphenylphosphanyl)ethane)rhodium(I) perchlorate; Yield given; Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) THF, hexane, reflux, 6 h, 2.) THF, hexane;
1-phenylbutan-1,3-dione
93-91-4

1-phenylbutan-1,3-dione

2-ethyl-1-phenyl-1,3-butanedione
39581-96-9

2-ethyl-1-phenyl-1,3-butanedione

Conditions
Conditions Yield
With sodium; benzene; Erhitzen des ausgeschiedenen Salzes mit Aethyljodid;
(Z)-1-phenyl-but-2-en-1-ol
52755-38-1

(Z)-1-phenyl-but-2-en-1-ol

acetyl chloride
75-36-5

acetyl chloride

2-ethyl-1-phenyl-1,3-butanedione
39581-96-9

2-ethyl-1-phenyl-1,3-butanedione

(Z)-1-Phenylbut-2-en-1-yl acetate
97996-32-2

(Z)-1-Phenylbut-2-en-1-yl acetate

Conditions
Conditions Yield
With n-butyllithium; (bicyclo[2.2.1]hepta-2,5-diene)(1,2-bis(diphenylphosphanyl)ethane)rhodium(I) perchlorate; In tetrahydrofuran; hexane; for 3h; Product distribution; Heating; (Ph3P)3RhCl as catalyst, other time;
With n-butyllithium; (bicyclo[2.2.1]hepta-2,5-diene)(1,2-bis(diphenylphosphanyl)ethane)rhodium(I) perchlorate; Yield given; Multistep reaction. Yields of byproduct given; 1.) THF, hexane, reflux, 4 h, 2.) THF, hexane;
With n-butyllithium; (bicyclo[2.2.1]hepta-2,5-diene)(1,2-bis(diphenylphosphanyl)ethane)rhodium(I) perchlorate; Yield given; Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) THF, hexane, reflux, 3 h, 2.) THF, hexane;
methyllithium
917-54-4

methyllithium

acetyl chloride
75-36-5

acetyl chloride

Phenyl vinyl ketone
768-03-6,26742-84-7

Phenyl vinyl ketone

2-ethyl-1-phenyl-1,3-butanedione
39581-96-9

2-ethyl-1-phenyl-1,3-butanedione

1-acetoxy-1-phenyl-1-butene
63509-75-1

1-acetoxy-1-phenyl-1-butene

Conditions
Conditions Yield
With copper(l) iodide; Yield given. Multistep reaction. Yields of byproduct given; 1) hexane, diisopropyl ether, -25 deg C, 0.5 h, 2) - 25 deg C, 1 h, 3) 1 h, RT;
diethyl ether
60-29-7,927820-24-4

diethyl ether

2-ethyl-1-phenyl-1,3-butanedione
39581-96-9

2-ethyl-1-phenyl-1,3-butanedione

2-ethyl-1-phenyl-butane-1,3-diol

2-ethyl-1-phenyl-butane-1,3-diol

benzaldehyde
100-52-7

benzaldehyde

2-Pentanone
107-87-9

2-Pentanone

propiophenone
495-40-9

propiophenone

Conditions
Conditions Yield
at 60 ℃; under 110326 - 147102 Torr; Hydrogenation;
ethanol
64-17-5

ethanol

2-ethyl-1-phenyl-1,3-butanedione
39581-96-9

2-ethyl-1-phenyl-1,3-butanedione

benzoic acid ethyl ester
93-89-0,99341-95-4

benzoic acid ethyl ester

2-Pentanone
107-87-9

2-Pentanone

ethyl acetate
141-78-6

ethyl acetate

propiophenone
495-40-9

propiophenone

Conditions
Conditions Yield
at 180 - 200 ℃; under 73550.8 Torr;

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