• Name

  4-(4-Acetoxyphenyl)-2-butanone

• EINECS 222-682-0
• CAS No. 3572-06-3
• Article Data7
• CAS DataBase
• Density 1.085 g/cm³
• Solubility
• Melting Point
• Formula C₁₂H₁₄O₃
• Boiling Point 352.6 °C at 760 mmHg
• Molecular Weight 206.241
• Flash Point 134.1 °C
• Transport Information
• Appearance Yellow liquid, sweet raspberry fruity odour
• Safety 26-36
• Risk Codes 36/37/38
• Molecular Structure
• Hazard Symbols Xi
• Synonyms 2-Butanone,4-(p-hydroxyphenyl)-, acetate (6CI,7CI,8CI);4-(p-Acetoxyphenyl)-2-butanone;4-(p-Hydroxyphenyl)-2-butanone, acetate;Cue-lure;NSC 39438;Q-lure;
• PSA 43.37000
• LogP 2.13350

Synthetic route

108-24-7

acetic anhydride

5471-51-2

4-(4-hydroxyphenyl)-2-oxobutane

3572-06-3

4-(p-hydroxyphenyl)-2-butanone acetate

Conditions

Conditions	Yield
With pyridine at 0 - 20℃;	80%

75-36-5

acetyl chloride

5471-51-2

4-(4-hydroxyphenyl)-2-oxobutane

3572-06-3

4-(p-hydroxyphenyl)-2-butanone acetate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃;
With triethylamine In dichloromethane at 20℃;

3572-06-3

4-(p-hydroxyphenyl)-2-butanone acetate

79-19-6

thiosemicarbazide

4-(4-acetoxyphenyl)butan-2-ylidenethiosemicarbazide

Conditions

Conditions	Yield
With acetic acid In ethanol at 50 - 80℃; for 3h;	93%

3572-06-3

4-(p-hydroxyphenyl)-2-butanone acetate

129752-69-8

(R)-(+)-4-(4'-hydroxyphenyl)-2-butyl acetate

Conditions

Conditions	Yield
With PS-TN lipase; hydrogen; (c-C5Ph4O)2H[Ru(CO)2]2H In toluene at 70℃; under 760.051 Torr; for 72h; Enzymatic reaction;	92%

3572-06-3

4-(p-hydroxyphenyl)-2-butanone acetate

121512-93-4

[methyl (5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosyl)onate] phenyl sulfone

(2S,4S,5R,6R)-4-Acetoxy-2-[3-(4-acetoxy-phenyl)-1-hydroxy-1-methyl-propyl]-5-acetylamino-6-((1S,2R)-1,2,3-triacetoxy-propyl)-tetrahydro-pyran-2-carboxylic acid methyl ester

Conditions

Conditions	Yield
With samarium diiodide In tetrahydrofuran at 20℃;	82%

3572-06-3

4-(p-hydroxyphenyl)-2-butanone acetate

75-16-1

methylmagnesium bromide

4-(3-hydroxy-3-methylbutyl)phenyl acetate

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 20℃;	68%

103909-81-5

(E)-3-(4-(tetrahydro-2H-pyran-2yloxy)phenyl)acryl aldehyde

3572-06-3

4-(p-hydroxyphenyl)-2-butanone acetate

(4E,6E)-1,7-bis (4-hydroxyphenyl)hepta-4,6-dien-3-one

Conditions

Conditions	Yield
Stage #1: 4-(p-hydroxyphenyl)-2-butanone acetate With pyrrolidine; acetic acid In diethyl ether at 0℃; for 0.5h; Stage #2: (E)-3-(4-(tetrahydro-2H-pyran-2yloxy)phenyl)acryl aldehyde In diethyl ether at 20℃; for 12h; Claisen Schmidt condensation; Further stages;	59%

6007-26-7

2-methyl-1,3-dithian

3572-06-3

4-(p-hydroxyphenyl)-2-butanone acetate

4-(3-hydroxy-3-(2-methyl-1,3-dithian-2-yl)butyl)phenyl acetate

Conditions

Conditions	Yield
With 3,5-difluoro-2,4,6-tris(N-phenylanilino)benzonitrile; triisopropylsilanethiol; 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane In N,N-dimethyl-formamide at 0℃; for 19h; Corey-Seebach Umpolung; Molecular sieve; Irradiation; Sealed tube; Inert atmosphere;	38%

3572-06-3

4-(p-hydroxyphenyl)-2-butanone acetate

525558-18-3

(2S,4S,5R,6R)-5-Acetylamino-4-hydroxy-2-[1-hydroxy-3-(4-hydroxy-phenyl)-1-methyl-propyl]-6-((1R,2R)-1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 82 percent / SmI2 / tetrahydrofuran / 20 °C 2.1: NaOMe / methanol / 8 h 2.2: KOH / H2O View Scheme

103909-81-5

(E)-3-(4-(tetrahydro-2H-pyran-2yloxy)phenyl)acryl aldehyde

3572-06-3

4-(p-hydroxyphenyl)-2-butanone acetate

A

C21H20O4

B

C24H26O4

C

C26H28O5

Conditions

Conditions	Yield
Stage #1: 4-(p-hydroxyphenyl)-2-butanone acetate With pyrrolidine; acetic acid In diethyl ether at 0℃; for 0.5h; Stage #2: (E)-3-(4-(tetrahydro-2H-pyran-2yloxy)phenyl)acryl aldehyde In diethyl ether at 20℃; for 12h; Claisen Schmidt condensation; Stage #3: With hydrogenchloride; water In diethyl ether

...Expand

3572-06-3

4-(p-hydroxyphenyl)-2-butanone acetate

ethyl 6-(4-acetoxyphenyl)-4,4-dimethylhexanoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetrahydrofuran / 0 - 20 °C 2: cyclopentadienyl titanium(IV) trichloride; zinc; triethylsilyl chloride / tetrahydrofuran / 12 h / 60 °C / Molecular sieve; Sealed tube; Inert atmosphere View Scheme

3572-06-3

4-(p-hydroxyphenyl)-2-butanone acetate

4009-98-7

(methoxymethyl)triphenylphosphonium chloride

A

C14H18O3

B

C14H18O3

Conditions

Conditions	Yield
Stage #1: (methoxymethyl)triphenylphosphonium chloride With potassium tert-butylate In tetrahydrofuran at 0 - 10℃; for 1h; Stage #2: 4-(p-hydroxyphenyl)-2-butanone acetate In tetrahydrofuran for 4h; Overall yield = 73 percent; Overall yield = 3.42 g;

...Expand

4-(3-Oxobutyl)phenyl acetate Chemical Properties

4-(3-Oxobutyl)phenyl acetate Uses

4-(3-Oxobutyl)phenyl acetate Toxicity Data With Reference

4-(3-Oxobutyl)phenyl acetate Consensus Reports

4-(3-Oxobutyl)phenyl acetate Safety Profile