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CAS No.: | 3572-06-3 |
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Name: | 4-(4-Acetoxyphenyl)-2-butanone |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C12H14O3 |
Molecular Weight: | 206.241 |
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; |
EINECS: | 222-682-0 |
Density: | 1.085 g/cm3 |
Boiling Point: | 352.6 °C at 760 mmHg |
Flash Point: | 134.1 °C |
Appearance: | Yellow liquid, sweet raspberry fruity odour |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 43.37000 |
LogP: | 2.13350 |
acetic anhydride
4-(4-hydroxyphenyl)-2-oxobutane
4-(p-hydroxyphenyl)-2-butanone acetate
Conditions | Yield |
---|---|
With pyridine at 0 - 20℃; | 80% |
acetyl chloride
4-(4-hydroxyphenyl)-2-oxobutane
4-(p-hydroxyphenyl)-2-butanone acetate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; | |
With triethylamine In dichloromethane at 20℃; |
Conditions | Yield |
---|---|
With acetic acid In ethanol at 50 - 80℃; for 3h; | 93% |
4-(p-hydroxyphenyl)-2-butanone acetate
(R)-(+)-4-(4'-hydroxyphenyl)-2-butyl acetate
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% |
4-(p-hydroxyphenyl)-2-butanone acetate
[methyl (5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosyl)onate] phenyl sulfone
Conditions | Yield |
---|---|
With samarium diiodide In tetrahydrofuran at 20℃; | 82% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 0 - 20℃; | 68% |
(E)-3-(4-(tetrahydro-2H-pyran-2yloxy)phenyl)acryl aldehyde
4-(p-hydroxyphenyl)-2-butanone acetate
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% |
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% |
4-(p-hydroxyphenyl)-2-butanone acetate
(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 | 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 |
(E)-3-(4-(tetrahydro-2H-pyran-2yloxy)phenyl)acryl aldehyde
4-(p-hydroxyphenyl)-2-butanone acetate
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 |
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Acetate of 4-(Hydroxyphenyl)-2-Butanone(3572-06-3) is also named as 4-(p-Acetoxyphenyl)-2-butanone;2-Butanone, 4-(p-hydroxyphenyl)-, acetate; 2-Butanone, 4-[4-(acetyloxy)phenyl]-; 4-(p-hydroxyphenyl)-2-butanonacetate; 4-[4-(acetyloxy)phenyl]-2-butanon,and so on.
Molecular Formula: C12H14O3
Molecular Weight: 206.24
EINECS: 222-682-0
Molecular structure:
Boiling point: 123-124 °C0.2 mm Hg(lit.)
Density: 1.099 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.509(lit.)
FEMA: 3652
Flash point: >230 °F
Merck: 13,2643
Acetate of 4-(Hydroxyphenyl)-2-Butanone(3572-06-3) is commonly used in melon fly traps as an attractant.
1. | orl-rat LD50:3038 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 31 (1975),421. |
RTECS: EL8950000
Acetate of 4-(Hydroxyphenyl)-2-Butanone(3572-06-3) is moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36
WGK Germany: 2
Hazard Note: Irritant