[ CAS No. 60710-39-6 ] {[proInfo.proName]}

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Quality Control of [ 60710-39-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 60710-39-6 ]

SDS Specification

Alternatived Products of [ 60710-39-6 ]

Product Details of [ 60710-39-6 ]

CAS No. :	60710-39-6	MDL No. :	MFCD08273793
Formula :	C₇H₇BrO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GMZKNRDHSHYMHG-UHFFFAOYSA-N
M.W :	187.03	Pubchem ID :	10307913
Synonyms :

Safety of [ 60710-39-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302+H312+H332-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 60710-39-6 ]

* 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 [ 60710-39-6 ]
Downstream synthetic route of [ 60710-39-6 ]

[ 60710-39-6 ] Synthesis Path-Upstream 1~2

1
[ 60710-39-6 ]
[ 73502-04-2 ]

Reference： [1] Journal of the Chemical Society. Perkin Transactions 2, 2000, # 2, p. 311 - 315

2
[ 60710-39-6 ]
[ 18162-48-6 ]
[ 164513-48-8 ]

Yield	Reaction Conditions	Operation in experiment
78%	With triethylamine In dichloromethane at 20℃; Cooling with ice	Intermediate 71{(S)-6-[(R)-4-(5-Hvdroxy-2-methyl-phenyl)-indan-1 -yloxy1-2,3-dihydro-benzofuran-3- yl)-acetic acid methyl esterStep 1 : (3-bromo-4-methyl-phenoxy)-tert-butyl-dimethyl-silane tert-Butyldimethylsilyl chloride (0.18 g) is added to a solution of 3-bromo-4-methyl- phenol (0.20 g) and triethylamine (0.23 ml_) in dichloromethane (3 ml_) chilled in an ice bath. 4-Dimethylaminopyridine (13 mg) is added and the solution is stirred at room temperature overnight. Dichloromethane is added and the solution is washed with 1 M hydrochloric acid, aqueous NaHC03 solution, and brine, and dried (MgS0₄). The solvent is evaporated and the residue is chromatographed on silica gel (cyclohexane/ethyl acetate) to give the title compound. Yield: 0.25 g (78percent of theory); LC (method 1 ): t_R = 1 .59 min.
78%	With dmap; triethylamine In dichloromethane at 20℃; Cooling with ice	Intermediate 71{(S)-6-[(R)-4-(5-Hydroxy-2-methyl-phenyl)-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester Step 1: (3-bromo-4-methyl-phenoxy)-tert-butyl-dimethyl-silanetert-Butyldimethylsilyl chloride (0.18 g) is added to a solution of 3-bromo-4-methyl-phenol (0.20 g) and triethylamine (0.23 mL) in dichloromethane (3 mL) chilled in an ice bath. 4-Dimethylaminopyridine (13 mg) is added and the solution is stirred at room temperature overnight. Dichloromethane is added and the solution is washed with 1 M hydrochloric acid, aqueous NaHCO₃solution, and brine, and dried (MgSO₄).The solvent is evaporated and the residue is chromatographed on silica gel (cyclohexane/ethyl acetate) to give the title compound. Yield: 0.25 g (78percent of theory); LC (method 1): t_R=1.59 min.

Reference： [1] Patent: WO2012/72691, 2012, A1, . Location in patent: Page/Page column 107-108
[2] Patent: US2012/302566, 2012, A1, . Location in patent: Page/Page column 48
[3] Organic Letters, 2012, vol. 14, # 9, p. 2350 - 2353

[ 60710-39-6 ] Synthesis Path-Downstream 1~2

1
[ 60710-39-6 ]
[ 56724-09-5 ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 2 (2001),2000,p. 311 - 315

2
[ 263400-88-0 ]
[ 60710-39-6 ]
2-bromo-1-methyl-4-(3-(methylsulfonyl)propoxy)benzene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
268 mg	With potassium carbonate; In N,N-dimethyl-formamide; at 90℃; for 12h;	To a solution of 3-bromo-4-methylphenol (200 mg) and K2CO3 (1 93 mg) in N,N- dimethylformamide (5 mL) is added 3-(methylsulfonyl)propyl 4- methylbenzenesulfonate (375 mg). The mixture is stirred for 12 hours at 90C and then partitioned between water and ethyl acetate. The organic phase is washed with brine and dried (MgSO4) . Th e solvent is eva porated a nd th e res id u e is chromatographed on silica gel (cyclohexane/ethyl acetate 80:20?20:80) to give the title compound. Yield: 268 mg; LC (method 1 ): tR = 1 .12 min; Mass spectrum (ESI+): m/z = 307 [M+H]+.

Reference： [1]Patent: WO2013/144098,2013,A1 .Location in patent: Page/Page column 96

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Isomers

Technical Information

? Acidity of Phenols ? Alkyl Halide Occurrence ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Chan-Lam Coupling Reaction ? Electrophilic Substitution of the Phenol Aromatic Ring ? Etherification Reaction of Phenolic Hydroxyl Group ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Halogenation of Phenols ? Hiyama Cross-Coupling Reaction ? Hydrogenolysis of Benzyl Ether ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? Oxidation of Phenols ? Pechmann Coumarin Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Dihalides ? Reimer-Tiemann Reaction ? Stille Coupling ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Vilsmeier-Haack Reaction

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[ 60710-39-6 ]

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P321
P322
P330	Rinse mouth.
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P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
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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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.
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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:
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
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H242	Heating may cause a fire
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H261	In contact with water releases flammable gas
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H411	Toxic to aquatic life with long-lasting effects
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H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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[ CAS No. 60710-39-6 ] {[proInfo.proName]}

Quality Control of [ 60710-39-6 ]

Related Doc. of [ 60710-39-6 ]

Product Details of [ 60710-39-6 ]

Safety of [ 60710-39-6 ]

Application In Synthesis of [ 60710-39-6 ]

[ 60710-39-6 ] Synthesis Path-Upstream 1~2

[ 60710-39-6 ] Synthesis Path-Downstream 1~2

Technical Information

Related Functional Groups of [ 60710-39-6 ]

Aryls

Bromides

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 60710-39-6 ]