[ CAS No. 3988-03-2 ] {[proInfo.proName]}

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Quality Control of [ 3988-03-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 3988-03-2 ]

SDS Specification

Alternatived Products of [ 3988-03-2 ]

Product Details of [ 3988-03-2 ]

CAS No. :	3988-03-2	MDL No. :	MFCD00016330
Formula :	C₁₃H₈Br₂O	Boiling Point :	-
Linear Structure Formula :	(BrC₆H₄)₂CO	InChI Key :	LFABNOYDEODDFX-UHFFFAOYSA-N
M.W :	340.01	Pubchem ID :	72868
Synonyms :

Safety of [ 3988-03-2 ]

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

Application In Synthesis of [ 3988-03-2 ]

* 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 [ 3988-03-2 ]
Downstream synthetic route of [ 3988-03-2 ]

[ 3988-03-2 ] Synthesis Path-Upstream 1~2

1
[ 3988-03-2 ]
[ 32446-66-5 ]

Reference： [1] Patent: US5246952, 1993, A,
[2] Patent: US5073574, 1991, A,

2
[ 3988-03-2 ]
[ 544-92-3 ]
[ 32446-66-5 ]

Reference： [1] Journal of the Chemical Society - Perkin Transactions 1, 1996, # 1, p. 63 - 66
[2] Canadian Journal of Chemistry, 1977, vol. 55, p. 2286 - 2291

[ 3988-03-2 ] Synthesis Path-Downstream 1~7

1
[ 902518-11-0 ]
[ 3988-03-2 ]
C₃₁H₂₀Br₃N [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
96.4%		The starting material represented by Formula a (6.96 g, 21.6 mmol) was dissolved in 300 ml of purified THF (tetrahydrofuran) and cooled to -780C, and n-BuLi (2.5 M in hexane, 8.64 ml, 21.6 mmol) was slowly dropped thereon. Stirring was conducted at the same temperature for 30 min, and 4,4'-dibromobenzophenone (6.12 g, 18.0 mmol) was added thereto. After stirring was conducted at the same temperature for 40 min, the temperature was raised to normal temperature and stirring was carried out for an additional 3 hours. The reaction was completed in an ammonium chloride (NH Cl) aqueous solution, and extraction was conducted with ethyl ether. Water was removed from an organic material layer using anhydrous magnesium sulfate (MgSO ), and an organic solvent was then removed therefrom. The produced solid was dispersed in ethanol, stirred for one day, filtered, and vacuum dried to produce 10.12 g of intermediate material (96.4percent yield).

Reference： [1]Patent: WO2008/66358,2008,A1 .Location in patent: Page/Page column 47

2
[ 902518-11-0 ]
[ 3988-03-2 ]
C₃₂H₂₃Br₂NO [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
96.4%		Preparation Example 2Preparation of Starting Material Represented by Formula bThe starting material represented by Formula a (6.96 g, 21.6 mmol) was dissolved in 300 ml of purified THF (tetrahydrofuran) and cooled to -78° C., and n-BuLi (2.5 M in hexane, 8.64 ml, 21.6 mmol) was slowly dropped thereon. Stirring was conducted at the same temperature for 30 min, and 4,4'-dibromobenzophenone (6.12 g, 18.0 mmol) was added thereto. After stirring was conducted at the same temperature for 40 min, the temperature was raised to normal temperature and stirring was carried out for an additional 3 hours. The reaction was completed in an ammonium chloride (NH4Cl) aqueous solution, and extraction was conducted with ethyl ether. Water was removed from an organic material layer using anhydrous magnesium sulfate (MgSO4), and an organic solvent was then removed therefrom. The produced solid was dispersed in ethanol, stirred for one day, filtered, and vacuum dried to produce 10.12 g of intermediate material (96.4percent yield). The intermediate solid was dispersed in 10 ml of acetic acid, ten drops of concentrated sulfuric acid were added thereto, and reflux was conducted for 4 hours. The resulting solid was filtered, washed with ethanol, and vacuum dried to produce 9.49 g of compound of Formula b (yield 96.8percent).MS: [M+H]+=565.

Reference： [1]Patent: US2010/65828,2010,A1 .Location in patent: Page/Page column 116

3
[ 902518-11-0 ]
[ 3988-03-2 ]
[ 1029634-23-8 ]

Yield	Reaction Conditions	Operation in experiment
		6.96 g of <strong>[902518-11-0]9-(2-bromophenyl)-9H-carbazole</strong> as the intermediate Preparation example 8 was dissolved in 10 mL of purified tetrahydrofuran, and the resulting solution was cooled to -78 degree C, and 8.64 mL of butyllithium was slowly added dropwise. The mixture was stirred at the same temperature for 30 minutes, and 6.12 g of 4,4'-dibromobenzophenone was added. The mixture was stirred for 40 minutes at the same temperature, and then further stirred at room temperature for additional 3 hours. The reaction was terminated with aqueous ammonium chloride, and the reacrtion mixture was extracted with ethyl ether. The organic solvent was dewatered using anhydrous magnesium sulfate, and the organic solvent was then removed. The resulting solid was dispersed in ethanol, stirred for one day, filtered, and vacuum dried, thus obtaining an intermediate material. The solid thus obtained was dispersed in 10 mL of acetic acid, and 10 drops of concentrated sulfuric acid were added, after which the mixture was refluxed for 4 hours. The resulting solid was filtered, washed with ethanol, and vacuum dried, yielding 8,8 -bis (4-bromophenyl)-8H-indolo [3,2,1-de] acridine compound.

Reference： [1]Tetrahedron,2010,vol. 66,p. 7295 - 7301
[2]Patent: JP5663566,2015,B2 .Location in patent: Paragraph 0166

4
[ 3988-03-2 ]
[ 1447669-03-5 ]

Reference： [1]Journal of Materials Chemistry C,2014,vol. 2,p. 2028 - 2036

5
[ 3988-03-2 ]
[ 18628-07-4 ]
[ 1233215-35-4 ]

Reference： [1]Angewandte Chemie - International Edition,2014,vol. 53,p. 6402 - 6406

6
[ 3988-03-2 ]
[ 1257220-47-5 ]
C₅₅H₄₀N₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
68%	With tris-(dibenzylideneacetone)dipalladium(0); tributylphosphine; sodium t-butanolate; In toluene; for 24h;Inert atmosphere; Reflux;	250ml of four bottles, in the atmosphere of nitrogen,0.01 mol of 4,4'-dibromobenzophenone was added,0.025 mol of intermediate D, 0.03 mol of sodium tert-butoxide,1 x 10-4 mol Pd2 (dba) 3, 1 x 10-4 mol tri-tert-butylphosphine,150 ml of toluene, heated to reflux for 24 hours,Sampling point plate, the reaction is complete.Natural cooling, filtration, the filtrate steamed, silica gel column, the target product, purity 98.8%, the yield of 68%.

Reference： [1]Patent: CN106467482,2017,A .Location in patent: Paragraph 0080; 0081; 0082; 0083; 0084; 0085

7
[ 56525-79-2 ]
[ 3988-03-2 ]
[ 1360642-12-1 ]

Reference： [1]Advanced Functional Materials,2018,vol. 28

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Isomers

Technical Information

? Alkyl Halide Occurrence ? Baeyer-Villiger Oxidation ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Clemmensen Reduction ? Corey-Bakshi-Shibata (CBS) Reduction ? Corey-Chaykovsky Reaction ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Henry Nitroaldol Reaction ? Hiyama Cross-Coupling Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? 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 Alkylbenzene ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Dihalides ? Reformatsky Reaction ? Robinson Annulation ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Specialized Acylation Reagents-Ketenes ? Stille Coupling ? Stobbe Condensation ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction

Historical Records

Related Functional Groups of
[ 3988-03-2 ]

Aryls

[ 90-90-4 ]

(4-Bromophenyl)(phenyl)methanone

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(3-Bromophenyl)(phenyl)methanone

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3,6-Dibromo-9H-fluoren-9-one

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1-(4-Bromophenyl)ethanone

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(4-Bromophenyl)(phenyl)methanone

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(3-Bromophenyl)(phenyl)methanone

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3,6-Dibromo-9H-fluoren-9-one

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3-Bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one

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[ 90-90-4 ]

(4-Bromophenyl)(phenyl)methanone

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(3-Bromophenyl)(phenyl)methanone

Similarity: 0.98

[ 216312-73-1 ]

3,6-Dibromo-9H-fluoren-9-one

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[ 87779-78-0 ]

3-Bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one

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[ 2001-29-8 ]

1-(4-Bromophenyl)-2-phenylethanone

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P342	If experiencing respiratory symptoms:
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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.
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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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H401	Toxic to aquatic life
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[ CAS No. 3988-03-2 ] {[proInfo.proName]}

Quality Control of [ 3988-03-2 ]

Related Doc. of [ 3988-03-2 ]

Product Details of [ 3988-03-2 ]

Safety of [ 3988-03-2 ]

Application In Synthesis of [ 3988-03-2 ]

[ 3988-03-2 ] Synthesis Path-Upstream 1~2

[ 3988-03-2 ] Synthesis Path-Downstream 1~7

Technical Information

Related Functional Groups of [ 3988-03-2 ]

Aryls

Bromides

Ketones

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 3988-03-2 ]