[ CAS No. 1896-62-4 ] {[proInfo.proName]}

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2D 3D

Structure of 1896-62-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 1896-62-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1896-62-4 ]

SDS Specification

Alternatived Products of [ 1896-62-4 ]

Product Details of [ 1896-62-4 ]

CAS No. :	1896-62-4	MDL No. :	MFCD00008779
Formula :	C₁₀H₁₀O	Boiling Point :	-
Linear Structure Formula :	C₆H₅CHCHC(O)CH₃	InChI Key :	BWHOZHOGCMHOBV-BQYQJAHWSA-N
M.W :	146.19	Pubchem ID :	637759
Synonyms :	trans-Benzalacetone;Trans-4-Phenyl-3-buten-2-one	Chemical Name :	(E)-4-Phenylbut-3-en-2-one

Safety of [ 1896-62-4 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H317-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1896-62-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 1896-62-4 ]
Downstream synthetic route of [ 1896-62-4 ]

[ 1896-62-4 ] Synthesis Path-Upstream 1~1

1
[ 75-36-5 ]
[ 174279-17-5 ]
[ 2142-76-9 ]
[ 119873-74-4 ]
[ 1896-62-4 ]

Reference： [1] Tetrahedron, 1996, vol. 52, # 3, p. 861 - 868

[ 1896-62-4 ] Synthesis Path-Downstream 1~8

1
[ 94465-25-5 ]
[ 1896-62-4 ]
[ 76217-07-7 ]

Reference： [1]Journal of Organic Chemistry,2004,vol. 69,p. 6942 - 6944

2
[ 4139-61-1 ]
[ 1896-62-4 ]
6-bromo-4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one [ No CAS ]

Reference： [1]Organic Letters,2007,vol. 9,p. 413 - 415

3
[ 2033-24-1 ]
[ 50670-58-1 ]
[ 1896-62-4 ]
(7β,11β)-7-(4'-bromobiphenyl-4-yl)-3,3-dimethyl-11-phenyl-2,4-dioxaspiro[5.5]undecane-1,5,9-trione [ No CAS ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 7120 - 7124

4
[ 391-12-8 ]
[ 1896-62-4 ]
[ 1373957-39-1 ]
[ 1373957-40-4 ]

Yield	Reaction Conditions	Operation in experiment
	With QD-4; In tetrahydrofuran; at 20℃; for 48h;	General procedure: In an ordinary vial equipped with a Teflon-coated stir bar, thiourea IV or V (0.04 mmol, 11.89 mg, 20 mol percent) was dissolved in 1.0 mL of THF. Then the corresponding isatins 1 (0.1 mmol, 1.0 equiv) was added, followed by the addition of alpha,beta-unsaturated ketones 2 (0.2 mmol, 2.0 equiv). The vial was capped with a rubber stopper and the mixture was stirred at room temperature for the time given in the tables. The crude mixture was then purified by flash column chromatography silica gel, using hexane/ethylacetate 2:1 as the eluent. Solvent was removed in vacuo to give the desired products.
	With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((1S)-(6-methoxyquinolin-4-yl)(5-vinylquinuclidin-2-yl)methyl)thiourea; In tetrahydrofuran; at 20℃; for 48h;	General procedure: In an ordinary vial equipped with a Teflon-coated stir bar, thiourea IV or V (0.04 mmol, 11.89 mg, 20 mol percent) was dissolved in 1.0 mL of THF. Then the corresponding isatins 1 (0.1 mmol, 1.0 equiv) was added, followed by the addition of alpha,beta-unsaturated ketones 2 (0.2 mmol, 2.0 equiv). The vial was capped with a rubber stopper and the mixture was stirred at room temperature for the time given in the tables. The crude mixture was then purified by flash column chromatography silica gel, using hexane/ethylacetate 2:1 as the eluent. Solvent was removed in vacuo to give the desired products.

Reference： [1]Tetrahedron,2012,vol. 68,p. 3843 - 3850
[2]Tetrahedron,2012,vol. 68,p. 3843 - 3850

5
[ 14752-66-0 ]
[ 1896-62-4 ]
[ 29869-86-1 ]

Yield	Reaction Conditions	Operation in experiment
74%	With 1,4-diaza-bicyclo[2.2.2]octane; palladium(II) hydroxide; trifluoroacetic acid; In 1,4-dioxane; water; at 120℃; under 760.051 Torr; for 20h;Inert atmosphere;	The reaction was conducted with Pd(OH)2 (1.4 mg, 0.01 mmol), DABCO (2.3 mg, 0.02 mmol),<strong>[14752-66-0]sodium 4-chlorobenzenesulfinate</strong> (1f, 79.2 mg, 0.4 mmol), (E)-4-phenylbut-3-en-2-one (2a, 29.2mg, 0.2 mmol) and charged with argon (1 atm). TFA (0.1 mL, 6.7 equiv) and 1,4-dioxane (0.2 mL),H2O (0.2 mL) were added to the sealed reaction vessel by syringe. The resulting solution wasstirred at 120 C for 20 h. After cooling to room temperature, the volatiles were removed undervacuum and the residue was purified by column chromatography (silica gel, petroleum ether/ethylacetate = 30:1) to give 3p as pale yellow oil; yield 74%.

Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 4347 - 4350

6
[ 1896-62-4 ]
[ 3347-62-4 ]

Reference： [1]Tetrahedron,2013,vol. 69,p. 1427 - 1433

7
[ 82771-60-6 ]
[ 1896-62-4 ]
(4R,11bS)-10-chloro-4-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one [ No CAS ]
(4S,11bR)-10-chloro-4-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one [ No CAS ]
10-chloro-4-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2017,vol. 359,p. 3095 - 3101

8
[ 2480-23-1 ]
[ 1896-62-4 ]
(1R,4R,6 R,7R)-(±)-4-(isobutyl(methyl)amino)-6,7-diphenylbicyclo[2.2.2]octan-2-one [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2021,vol. 86,p. 3276 - 3286

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Isomers

Technical Information

? Baeyer-Villiger Oxidation ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Bucherer-Bergs Reaction ? Clemmensen Reduction ? Corey-Bakshi-Shibata (CBS) Reduction ? Corey-Chaykovsky Reaction ? Fischer Indole Synthesis ? Grignard Reaction ? Henry Nitroaldol Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Lawesson's Reagent ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Peterson Olefination ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reformatsky Reaction ? Robinson Annulation ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Specialized Acylation Reagents-Ketenes ? Stobbe Condensation ? Tebbe Olefination ? Ugi Reaction ? Wittig Reaction ? Wolff-Kishner Reduction

Historical Records

Related Functional Groups of
[ 1896-62-4 ]

Aryls

[ 122-57-6 ]

4-Phenylbut-3-en-2-one

Similarity: 1.00

[ 56578-35-9 ]

(E)-3-(p-Tolyl)acrylaldehyde

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α-Methyl-cinnamaldehyde(predominantly trans)

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4-Vinylbenzaldehyde

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[ 92-91-1 ]

1-([1,1'-Biphenyl]-4-yl)ethanone

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Alkenyls

[ 122-57-6 ]

4-Phenylbut-3-en-2-one

Similarity: 1.00

[ 56578-35-9 ]

(E)-3-(p-Tolyl)acrylaldehyde

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α-Methyl-cinnamaldehyde(predominantly trans)

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2,6-Dimethyl-2,5-heptadien-4-one

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4-Vinylbenzaldehyde

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[ 122-57-6 ]

4-Phenylbut-3-en-2-one

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[ 504-20-1 ]

2,6-Dimethyl-2,5-heptadien-4-one

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[ 92-91-1 ]

1-([1,1'-Biphenyl]-4-yl)ethanone

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[ 787-69-9 ]

4,4'-Diacetylbiphenyl

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P233	Keep container tightly closed.
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Code	Phrase
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P313	Get medical advice/attention.
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P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
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P330	Rinse mouth.
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P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
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P361	Remove/Take off immediately all contaminated clothing.
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P373	DO NOT fight fire when fire reaches explosives.
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
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P378
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
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P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
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P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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[ CAS No. 1896-62-4 ] {[proInfo.proName]}

Quality Control of [ 1896-62-4 ]

Related Doc. of [ 1896-62-4 ]

Product Details of [ 1896-62-4 ]

Safety of [ 1896-62-4 ]

Application In Synthesis of [ 1896-62-4 ]

[ 1896-62-4 ] Synthesis Path-Upstream 1~1

[ 1896-62-4 ] Synthesis Path-Downstream 1~8

Technical Information

Related Functional Groups of [ 1896-62-4 ]

Aryls

Alkenyls

Ketones

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 1896-62-4 ]