1-Phenyl-2-propyn-1-one supplier

Name
1-Phenyl-2-propyn-1-one
EINECS
CAS No. 3623-15-2
Article Data125
CAS DataBase
Density 1.073g/cm³
Solubility
Melting Point 50-51 °C
Formula C₉H₆O
Boiling Point 213.7 °C at 760 mmHg
Molecular Weight 130.146
Flash Point 76.6 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms Propiolophenone(6CI,7CI,8CI);1-Phenyl-1-oxo-2-propyne;1-Phenyl-2-propyn-1-one;1-Phenylpropyn-1-one;3-Oxo-3-phenylpropyne;Benzoylacetylene;Ethyne,benzoyl-;Ethynyl phenyl ketone;NSC 140267;Phenyl ethynyl ketone;Propioloylbenzene;Propynophenone;
PSA 17.07000
LogP 1.50250

Synthetic route

: 4187-87-5
1-Phenyl-2-propyn-1-ol

: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With Jones reagent In acetone at 0℃; Jones Oxidation; Inert atmosphere;	100%
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethyl sulfoxide at 20℃; for 5h;	99%
With sodium hypochlorite pentahydrate; 4-acetamido-2,2,6,6-tetramethylpiperidine-N-hydroxyammonium tetrafluoroborate In water; acetonitrile at 20℃; for 0.75h;	99%

: 41790-90-3, 61172-18-7
(E)-1-methoxy-4-(4-phenylbut-1-en-3-yn-1-yl)benzene

A: 123-11-5
4-methoxy-benzaldehyde

B: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With oxygen; 5,15,10,20-tetraphenylporphyrin In chloroform Irradiation;	A 83% B 85%

: 13343-79-8
(E)-1,4-Diphenylbut-1-en-3-yne

A: 100-52-7
benzaldehyde

B: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With oxygen; 5,15,10,20-tetraphenylporphyrin In chloroform for 75h; Irradiation;	A 80% B 84%

: 10147-11-2
propargyl benzene

: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; [copper(II)(salqu)] In acetonitrile at 70℃; for 4h;	77%
With tetrachloromethane; di-tert-butyl chromate; acetic acid Reagens 4: Acetanhydrid;
With selenium(IV) oxide; ethanol

: 20541-49-5
bis(p-chlorophenyl) diselenide

: 4187-87-5
1-Phenyl-2-propyn-1-ol

A: 105423-64-1
(Z)-2-(4-Chloro-phenylselanyl)-3-phenyl-propenal

B: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With sulfuric acid; tetraethylammonium perchlorate In water; acetonitrile at 65℃; for 14h; electrochemical oxidation;	A 74% B 12%

...Expand

: 87406-35-7
1,1-dichloro-3-ethoxy-3-phenylpropene

A: 87406-33-5
1-phenyl-propynone-diethylacetal

B: 15724-79-5
(Z)-β-chloro-1-phenyl propenone

C: 3623-15-2
phenyl propargyl ketone

D: (E)1-chloro-3,3-diethoxy-3-phenylpropene

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at 80℃; for 18h;	A 72% B n/a C 18% D 9%

...Expand

: 100-52-7
benzaldehyde

: 4301-14-8
acetylenemagnesium bromide

: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
Stage #1: benzaldehyde; acetylenemagnesium bromide In tetrahydrofuran at -78 - 20℃; for 1h; Inert atmosphere; Stage #2: With chromium(VI) oxide; sulfuric acid In acetone at 0℃; for 3h; Inert atmosphere;	69%
Stage #1: benzaldehyde; acetylenemagnesium bromide Inert atmosphere; Stage #2: With Jones reagent Inert atmosphere;

: 64-17-5
ethanol

: 23691-27-2
1,1,1,3-tetrachloro-3-phenylpropane

A: 87406-35-7
1,1-dichloro-3-ethoxy-3-phenylpropene

B: 87406-33-5
1-phenyl-propynone-diethylacetal

C: 15724-79-5
(Z)-β-chloro-1-phenyl propenone

D: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With sodium ethanolate for 18h; Heating; Further byproducts given;	A 22% B 2% C 2% D 59%

...Expand

: 355116-17-5
1-phenyl-2-(1H-tetrazol-5-yl)ethanone

: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With lead(IV) acetate In 1,4-dioxane at 0℃; for 0.5h;	53%

: 100-52-7
benzaldehyde

: 1066-54-2
trimethylsilylacetylene

A: 13829-77-1
3-(trimethylsilyl)-1-phenyl-2-propyn-1-one

B: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
Stage #1: trimethylsilylacetylene With indium(III) bromide; triethylamine In diethyl ether at 20℃; for 1h; Inert atmosphere; Sealed tube; Stage #2: benzaldehyde In diethyl ether at 40℃; for 24h; Inert atmosphere; Sealed tube;	A 40% B 10%

...Expand

: 64-17-5
ethanol

: 23691-27-2
1,1,1,3-tetrachloro-3-phenylpropane

A: 103-36-6
ethyl 3-phenyl-2-propenoate

B: 87406-33-5
1-phenyl-propynone-diethylacetal

C: 15724-79-5
(Z)-β-chloro-1-phenyl propenone

D: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With potassium hydroxide for 18h; Heating; Further byproducts given;	A 2% B 33% C 5% D 14%

...Expand

: 64-17-5
ethanol

: 23691-27-2
1,1,1,3-tetrachloro-3-phenylpropane

A: 36234-10-3
3-Oxo-3-phenylpropanal 1-(diethylacetal)

B: 87406-33-5
1-phenyl-propynone-diethylacetal

C: 15724-79-5
(Z)-β-chloro-1-phenyl propenone

D: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With potassium hydroxide for 18h; Heating; Further byproducts given;	A 2% B 33% C 5% D 14%

...Expand

: 64-17-5
ethanol

: 23691-27-2
1,1,1,3-tetrachloro-3-phenylpropane

A: 6142-95-6
phenylpropargyl aldehyde diethyl acetal

B: 87406-33-5
1-phenyl-propynone-diethylacetal

C: 15724-79-5
(Z)-β-chloro-1-phenyl propenone

D: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With potassium hydroxide for 18h; Heating; Further byproducts given;	A 8% B 33% C 5% D 14%

...Expand

: 64-17-5
ethanol

: 23691-27-2
1,1,1,3-tetrachloro-3-phenylpropane

A: 60355-48-8
3-ethoxy-3-phenyl-2-propenal

B: 87406-33-5
1-phenyl-propynone-diethylacetal

C: 15724-79-5
(Z)-β-chloro-1-phenyl propenone

D: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With potassium hydroxide for 18h; Heating; Further byproducts given;	A 2% B 33% C 5% D 14%

...Expand

: 64-17-5
ethanol

: 23691-27-2
1,1,1,3-tetrachloro-3-phenylpropane

A: 87406-33-5
1-phenyl-propynone-diethylacetal

B: 15724-79-5
(Z)-β-chloro-1-phenyl propenone

C: 3623-15-2
phenyl propargyl ketone

D: (E)1-chloro-3,3-diethoxy-3-phenylpropene

Conditions

Conditions	Yield
With potassium hydroxide for 18h; Heating; Further byproducts given;	A 33% B 5% C 14% D 3%

...Expand

: 23691-27-2
1,1,1,3-tetrachloro-3-phenylpropane

A: 87406-33-5
1-phenyl-propynone-diethylacetal

B: 15724-79-5
(Z)-β-chloro-1-phenyl propenone

C: 3623-15-2
phenyl propargyl ketone

D: (E)1-chloro-3,3-diethoxy-3-phenylpropene

Conditions

Conditions	Yield
With potassium hydroxide In ethanol for 18h; Heating; Further byproducts given;	A 33% B 5% C 14% D 3%

...Expand

: 4187-87-5
1-Phenyl-2-propyn-1-ol

A: 86476-37-1
3-phenyl-3-keto-propanol-di(1-phenyl-2-propyn-1-yl) acetal

B: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
at 5℃; electrolysis: nickel net anode, cylindrical stainless steel cathode; electrolyte: 0.1M KOH/t-butanol - water (1:1);	A 28% B 4%
at 5℃; electrolysis: nickel net anode, cylindrical stainless steel cathode; electrolyte: KOH/t-butanol - water (1:1);	A 28% B 4%

: 56-23-5
tetrachloromethane

: 10147-11-2
propargyl benzene

: 1189-85-1
di-tert-butyl chromate

: 108-24-7
acetic anhydride

: 64-19-7
acetic acid

: 3623-15-2
phenyl propargyl ketone

...Expand

: 13829-77-1
3-(trimethylsilyl)-1-phenyl-2-propyn-1-one

: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With borax
With borax In methanol
Multi-step reaction with 2 steps 1: potassium carbonate / methanol / 2 h 2: chromium(VI) oxide; sulfuric acid / acetone; water / 0.33 h / 0 °C View Scheme

: 925-93-9
ethyl [2]alcohol

: 87406-35-7
1,1-dichloro-3-ethoxy-3-phenylpropene

A: 87406-33-5
1-phenyl-propynone-diethylacetal

B: 81060-96-0
1-phenyl-3-deuterioprop-2-yn-1-one

C: 3623-15-2
phenyl propargyl ketone

D: (E)1-chloro-3,3-diethoxy-3-phenylpropene

E: C11H11(2)HCl2O

F: C13H16(2)HClO2

Conditions

Conditions	Yield
With sodium ethanolate for 8h; Mechanism; Heating;

...Expand

: 134817-20-2
C9H5(3)HO

: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With water; hydrogenphosphate In tetrahydrofuran at 25℃; Rate constant;

: C21H33BN2O

: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; hexane Ambient temperature; Yield given;

: 245343-75-3
3,5,6,6-tetramethyl-3-(1-phenyl-3-methylsilanyl-1-trimethylsilanyloxyprop-2-ynyl)-3,6-dihydro[1,4]oxazin-2-one

A: 3623-15-2
phenyl propargyl ketone

B: 245343-67-3
3,5,6,6-tetramethyl-3,6-dihydro-[1,4]oxazin-2-one

Conditions

Conditions	Yield
With water; pyridinium p-toluenesulfonate Hydrolysis;

: 7446-08-4
selenium(IV) oxide

: 64-17-5
ethanol

: 10147-11-2
propargyl benzene

: 3623-15-2
phenyl propargyl ketone

...Expand

: 100-52-7
benzaldehyde

Fmoc-L-tert-leucine on Wang resin: Fmoc-L-tert-leucine on Wang resin

: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetrahydrofuran / 0 - 20 °C 2: IBX / ethyl acetate; tetrahydrofuran / 80 °C View Scheme
Multi-step reaction with 2 steps 1: tetrahydrofuran / 0 - 20 °C 2: IBX / ethyl acetate / 80 °C View Scheme

: 100-52-7
benzaldehyde

(E)-n-C6H13CH=CHZrCp2Cl: (E)-n-C6H13CH=CHZrCp2Cl

: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / 0 °C 2: MnO2 / CH2Cl2 / 20 °C View Scheme

: 93-58-3
benzoic acid methyl ester

α-methoxy-phenylacetic acid: α-methoxy-phenylacetic acid

: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 72 percent / NaH / tetrahydrofuran / Heating 2: 86 percent / NaN3; AlCl3 / tetrahydrofuran / 5 h / Heating 3: 53 percent / Pb(OAc)4 / dioxane / 0.5 h / 0 °C View Scheme

: 614-16-4
Benzoylacetonitrile

: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 86 percent / NaN3; AlCl3 / tetrahydrofuran / 5 h / Heating 2: 53 percent / Pb(OAc)4 / dioxane / 0.5 h / 0 °C View Scheme

: 98-88-4
benzoyl chloride

(+-)-<4-isopropyl-benzylamino>-phenyl-acetonitrile: (+-)-<4-isopropyl-benzylamino>-phenyl-acetonitrile

: 3623-15-2
phenyl propargyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: n-butyllithium / tetrahydrofuran; hexane / 0.25 h / -78 °C 2: 3N HCl / tetrahydrofuran; hexane / Ambient temperature View Scheme

: 872459-79-5
((S)-1-carbamimidoyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester

: 3623-15-2
phenyl propargyl ketone

: 872459-80-8
[(S)-2-phenyl-1-(4-phenyl-pyrimidin-2-yl)-ethyl]-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
With sodium carbonate In acetonitrile at 120℃; for 0.666667h; Microwave irradiation;	100%

: pyridinium tetrafluoroborate

: 3623-15-2
phenyl propargyl ketone

: C14H12NO(1+)*BF4(1-)

Conditions

Conditions	Yield
In methanol at 65℃;	100%

: (1Z,4RS,5RS)-4-(benzoylamino)-5-phenyl-1-(3,4,5-trimethoxybenzylidene)pyrazolidin-3-on-1-azomethine imine

: 3623-15-2
phenyl propargyl ketone

: rac-N-((1S,6R,7R)-2-benzoyl-5-oxo-7-phenyl-1-(3,4,5-trimethoxyphenyl)-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazol-6-yl)benzamide

Conditions

Conditions	Yield
With copper In dichloromethane at 20℃; stereoselective reaction;	100%

: 3623-15-2
phenyl propargyl ketone

: 640-61-9
N-methyl-p-toluenesulfonylamide

: (E)-N,4-dimethyl-N-(3-oxo-3-phenylprop-1-en-1-yl)benzenesulfonamide

Conditions

Conditions	Yield
With N-benzyl-trimethylammonium hydroxide In tetrahydrofuran; water at 20℃; Inert atmosphere;	100%
With potassium carbonate In tetrahydrofuran at 80℃; Inert atmosphere;	80%

: 100-53-8
phenylmethanethiol

: 3623-15-2
phenyl propargyl ketone

: 74896-60-9
3,3-bis(benzylmercapto)propiophenone

Conditions

Conditions	Yield
With tributylphosphine In tetrahydrofuran	99%
With 1-butyl-3-methylimidazolium hydroxide; 1-n-butyl-3-methylimidazolim bromide for 0.333333h;	95%

: 1670-14-0
benzamidine monohydrochloride

: 3623-15-2
phenyl propargyl ketone

: 25095-48-1
2,4-diphenylpyrimidine

Conditions

Conditions	Yield
With sodium carbonate In acetonitrile at 120℃; for 0.666667h; microwave irradiation;	99%
With sodium carbonate In acetonitrile at 120℃; for 0.666667h; Microwave irradiation;	98%

: 500-99-2
3,5-dimethoxyphenol

: 3623-15-2
phenyl propargyl ketone

: chrysinidin dimethylether hexafluorophosphate

Conditions

Conditions	Yield
With hexafluorophosphoric acid In acetic acid at 20℃; for 48h;	99%
With hexafluorophosphoric acid In acetic acid at 20℃;	99%

: 161952-32-5
C14H9NOS

: 3623-15-2
phenyl propargyl ketone

: 1253801-90-9
C23H15NO2S

Conditions

Conditions	Yield
With triphenylphosphine In toluene at 20℃; Inert atmosphere; regioselective reaction;	99%

: 20413-05-2
2-benzoyl-3-phenylacrylonitrile

: 3623-15-2
phenyl propargyl ketone

: 1253801-70-5
C25H17NO2

Conditions

Conditions	Yield
With triphenylphosphine In acetonitrile at 20℃; Inert atmosphere; regioselective reaction;	99%

: 61222-94-4
2-benzoyl-3-(2-furyl)prop-2-enenitrile

: 3623-15-2
phenyl propargyl ketone

: 1253801-80-7
C23H15NO3

Conditions

Conditions	Yield
With triphenylphosphine In toluene at 20℃; Inert atmosphere; regioselective reaction;	99%

: 3623-15-2
phenyl propargyl ketone

: (E)-2-Benzoyl-3-(4-bromo-phenyl)-acrylonitrile

: 1253801-82-9
C25H16BrNO2

Conditions

Conditions	Yield
With triphenylphosphine In toluene at 20℃; Inert atmosphere; regioselective reaction;	99%

: 3623-15-2
phenyl propargyl ketone

: 3456-79-9, 123742-97-2
3-phenyloxindole

: C23H17NO2

Conditions

Conditions	Yield
With C35H52N4O4; scandium tris(trifluoromethanesulfonate) In tetrahydrofuran; dichloromethane at 30℃; for 5h; Michael Addition; Molecular sieve; enantioselective reaction;	99%

: 282549-48-8
3-(4-fluorophenyl)indolin-2-one

: 3623-15-2
phenyl propargyl ketone

: C23H16FNO2

Conditions

Conditions	Yield
With C35H52N4O4; scandium tris(trifluoromethanesulfonate) In tetrahydrofuran; dichloromethane at 30℃; for 3h; Michael Addition; Molecular sieve; enantioselective reaction;	99%

: 1255502-42-1
3-(m-tolyl)indolin-2-one

: 3623-15-2
phenyl propargyl ketone

: C24H19NO2

Conditions

Conditions	Yield
With C35H52N4O4; scandium tris(trifluoromethanesulfonate) In tetrahydrofuran; dichloromethane at 30℃; for 5h; Michael Addition; Molecular sieve; enantioselective reaction;	99%

: 1235862-81-3
3-(naphthalen-2-yl)indolin-2-one

: 3623-15-2
phenyl propargyl ketone

: C27H19NO2

Conditions

Conditions	Yield
With C35H52N4O4; scandium tris(trifluoromethanesulfonate) In tetrahydrofuran; dichloromethane at 30℃; for 5h; Michael Addition; Molecular sieve; enantioselective reaction;	99%

: 6829-40-9
aminomalonic acid diethyl ester

: 1190109-45-5
1-benzyl-7-fluoroindoline-2,3-dione

: 3623-15-2
phenyl propargyl ketone

: (S)-diethyl 3'-benzoyl-1-benzyl-7-fluoro-2-oxospiro[indoline-3,2'-pyrrole]-5',5'(1'H)-dicarboxylate

Conditions

Conditions	Yield
With (R)-3,3'-bis(9-anthracenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate In toluene at 25℃; for 36h; Molecular sieve; enantioselective reaction;	99%

...Expand

: 524-38-9
N-hydroxyphthalimide

: 3623-15-2
phenyl propargyl ketone

: 1447925-07-6
3-benzoyl-3a-hydroxy-3aH-1-oxa-8a-azacyclopenta[a]indene-8-one

Conditions

Conditions	Yield
With triphenylphosphine In N,N-dimethyl-formamide at 20℃; for 1h; Inert atmosphere;	99%
With triphenylphosphine In N,N-dimethyl-formamide at 20℃; for 1h;	99%

: C14H15Cl2NO4

: 3623-15-2
phenyl propargyl ketone

: 1325732-02-2
diethyl 4-benzoyl-5-(3,4-dichlorophenyl)-1H-pyrrole-2,2(5H)-dicarboxylate

Conditions

Conditions	Yield
With (S,Sp)-R-Phosferrox; copper(II) acetate monohydrate; triethylamine In dichloromethane at 0℃; for 0.5h; Inert atmosphere; Molecular sieve; enantioselective reaction;	99%

: tert-butyl (E)-oct-2-en-1-yl-L-prolinate

: 3623-15-2
phenyl propargyl ketone

: (R)-2-benzoyl-7a-((S)-oct-1-en-3-yl)-5,6,7,7a-tetrahydro-1H-pyrrolizin-1-one

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 72h; Inert atmosphere; Darkness; enantioselective reaction;	99%

: tert-butyl allyl-L-prolinate

: 3623-15-2
phenyl propargyl ketone

: (R)-7a-allyl-2-benzoyl-5,6,7,7a-tetrahydro-1H-pyrrolizin-1-one

Conditions

Conditions	Yield
In acetonitrile at 60℃; for 48h; Inert atmosphere; Darkness; enantioselective reaction;	99%

: tert-butyl (E)-(3-(4-bromophenyl)allyl)-L-prolinate

: 3623-15-2
phenyl propargyl ketone

: (R)-2-benzoyl-7a-((R)-1-(4-bromophenyl)allyl)-5,6,7,7a-tetrahydro-1H-pyrrolizin-1-one

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 72h; Inert atmosphere; Darkness; enantioselective reaction;	99%

: 108-98-5
thiophenol

: 3623-15-2
phenyl propargyl ketone

: 42426-92-6
1-phenyl-3,3-bis(phenylthio)propan-1-one

Conditions

Conditions	Yield
With 1-butyl-3-methylimidazolium hydroxide; 1-n-butyl-3-methylimidazolim bromide for 0.25h;	98%
With lithium tert-butoxide In ethanol at 20℃; for 0.166667h;	88%
With sodium acetate In tetrahydrofuran; water at 70℃; for 2.5h;	80%
With N-benzyl-trimethylammonium hydroxide In methanol

: 3623-15-2
phenyl propargyl ketone

: 22706-11-2
3-phenyl-4-amino-5-mercapto-1,2,4-triazole

: 121033-63-4
4-amino-3-(benzoylvinylthio)-5-phenyl-1,2,4-triazole

Conditions

Conditions	Yield
In methanol at 20℃; for 3h;	98%
In methanol at 65℃; for 5h;	84%

: 3623-15-2
phenyl propargyl ketone

: 75-08-1
ethanethiol

: 74896-59-6
β,β-diethylthioethyl phenyl ketone

Conditions

Conditions	Yield
With 1-butyl-3-methylimidazolium hydroxide; 1-n-butyl-3-methylimidazolim bromide for 0.333333h;	98%
In ammonia for 1h;	96%
With sodium acetate In tetrahydrofuran; water at 70℃; for 3h;	75%

: 3623-15-2
phenyl propargyl ketone

: 25871-69-6
1,3,5-tribenzoylbenzene

Conditions

Conditions	Yield
dmap; acetylacetone In dichloromethane at 20℃; for 2h;	98%
With t-butyl azide In 1,4-dioxane at 100℃; for 30h;	64.3%
In N,N-dimethyl-formamide for 3h; Heating;	57%

: 3623-15-2
phenyl propargyl ketone

: 5955-92-0
phenyl(1H-1,2,3-triazol-4-yl)methanone

Conditions

Conditions	Yield
With sodium azide In N,N-dimethyl acetamide at 55℃; for 0.666667h; microwave irradiation;	98%
With sodium azide In N,N-dimethyl acetamide at 100℃; for 2h; Cycloaddition;	95%
With sodium azide In N,N-dimethyl acetamide at 20 - 100℃; for 14h; Cycloaddition;	95%

: 626-34-6
ethyl 3-aminobut-2-enoate

: 3623-15-2
phenyl propargyl ketone

: 1702-14-3
ethyl 2-methyl-6-phenylnicotinate

Conditions

Conditions	Yield
In acetic acid; toluene at 170℃; for 0.166667h; Product distribution; Further Variations:; Solvents; microwave irradiation; Bohlmann-Rahtz synthesis;	98%

: 5977-14-0
acetoacetamido

: 3623-15-2
phenyl propargyl ketone

: 2-methyl-6-phenylpyridine-3-carboxamide

Conditions

Conditions	Yield
With ammonium acetate In ethanol for 24h; Bohlmann-Rahtz reaction; Heating;	98%
With ammonium acetate In ethanol for 24h; Heating;	98%

: 540-63-6
ethane-1,2-dithiol

: 3623-15-2
phenyl propargyl ketone

: 5653-29-2
2-(1,3-dithiolan-2-yl)-1-phenylethan-1-one

Conditions

Conditions	Yield
With 1-butyl-3-methylimidazolium hydroxide; 1-n-butyl-3-methylimidazolim bromide for 0.25h;	98%
With sodium acetate In tetrahydrofuran; water at 70℃; for 3.5h;	74%

1-Phenyl-2-propyn-1-one Specification

The 1-Phenyl-2-propyn-1-one with the CAS number 3623-15-2 is also called 2-Propyn-1-one,1-phenyl-. The systematic name is 1-phenylprop-2-yn-1-one. Its molecular formula is C₉H₆O. The product category is Aromatics. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1-Phenyl-2-propyn-1-one are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.23; (6)ACD/BCF (pH 7.4): 27.23; (7)ACD/KOC (pH 5.5): 370.49; (8)ACD/KOC (pH 7.4): 370.49; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 38.74 cm³; (15)Molar Volume: 121.2 cm³; (16)Polarizability: 15.35×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Enthalpy of Vaporization: 45 kJ/mol; (19)Vapour Pressure: 0.162 mmHg at 25°C.

Preparation: This chemical can be prepared by 1-phenyl-prop-2-yn-1-ol. This reaction needs reagent CrO₃ and H₂SO₄. The yield is 91%.

Uses: This chemical can react with 1H-pyrazole to prepare 1-phenyl-3-pyrazol-1-yl-propenone. The yield is 42%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C#C)c1ccccc1
(2)InChI: InChI=1/C9H6O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7H
(3)InChIKey: JITPLZPWKYUTDM-UHFFFAOYAD

Product Name

1-Phenyl-2-propyn-1-one

Synthetic route

1-Phenyl-2-propyn-1-one Specification

Related Products

Hot Products