[ CAS No. 3650-78-0 ] {[proInfo.proName]}

Name: 3650-78-0|Methyl 3-(4-bromophenyl)acrylate|98%
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Quality Control of [ 3650-78-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 3650-78-0 ]

Product Details of [ 3650-78-0 ]

CAS No. :	3650-78-0	MDL No. :	MFCD00157162
Formula :	C₁₀H₉BrO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MFKOGXVHZUSUAF-QPJJXVBHSA-N
M.W :	241.08	Pubchem ID :	816774
Synonyms :

Safety of [ 3650-78-0 ]

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

Application In Synthesis of [ 3650-78-0 ]

* 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 [ 3650-78-0 ]
Downstream synthetic route of [ 3650-78-0 ]

[ 3650-78-0 ] Synthesis Path-Upstream 1~3

1
[ 3650-78-0 ]
[ 49678-04-8 ]

Reference： [1] Synthetic Communications, 2011, vol. 41, # 2, p. 206 - 218
[2] Tetrahedron Letters, 2014, vol. 55, # 30, p. 4095 - 4097

2
[ 3650-78-0 ]
[ 75567-84-9 ]

Reference： [1] Inorganic Chemistry, 2016, vol. 55, # 5, p. 2345 - 2354

3
[ 3650-78-0 ]
[ 75567-84-9 ]

Reference： [1] European Journal of Organic Chemistry, 2014, vol. 2014, # 33, p. 7347 - 7352
[2] Chemical Communications, 2013, vol. 49, # 33, p. 3470 - 3472

[ 3650-78-0 ] Synthesis Path-Downstream 1~7

1
[ 3650-78-0 ]
[ 171364-78-6 ]
[ 1155662-84-2 ]

Reference： [1]European Journal of Medicinal Chemistry,2009,vol. 44,p. 1900 - 1912

2
[ 688810-12-0 ]
[ 3650-78-0 ]
[ 1333171-64-4 ]

Reference： [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 6563 - 6585

3
[ 3650-78-0 ]
[ 92050-16-3 ]
[ 1298117-18-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 81 - 84

4
[ 3650-78-0 ]
[ 116233-17-1 ]
[ 1422445-95-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 81 - 84

5
[ 3650-78-0 ]
[ 75567-84-9 ]

Reference： [1]European Journal of Organic Chemistry,2014,vol. 2014,p. 7347 - 7352
[2]Chemical Communications,2013,vol. 49,p. 3470 - 3472

6
[ 6443-85-2 ]
[ 3650-78-0 ]
racemic threo-methyl 4-cyano-4-(pyridin-3-yl)-3-(4-bromophenyl)butanoate [ No CAS ]
C₁₇H₁₅BrN₂O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
16%; 25%	With sodium methylate; In methanol; at 110℃; for 4h;Inert atmosphere; Microwave irradiation;	0726] Under protective gas (Ar), 0.24 ml of 30% strength methanolic sodium methoxide solution was added to 2.400 g (9.955 mmol) of methyl 3-(4-bromophenyl)acrylate and 1.176 g (9.955 mmol) of pyridin-3-ylacetonitrile in 28.8 ml of methanol, and the mixture was stirred in a closed reaction vessel in a microwave oven at 110 C. for 4 h. The reaction mixture was poured into ice-water and extracted three times with dichloromethane, and the combined organic phases were dried over sodium sulphate. The solvent was removed under reduced pressure. Chromatography of the residue on silica gel (ethyl acetate/heptane=80:10) gave, successively, 0.653 g (16% of theory) of threo-methyl 4-cyano-4-(pyridin-3-yl)-3-(4-methylphenyl)butanoate and 0.986 g (25% of theory) of erythro-methyl 4-cyano-4-(pyridin-3-yl)-3-(4-methylphenyl)butanoate. The configuration was assigned by comparison of the chemical shifts of the respective CHCN doublets at 4.15 ppm and 4.48 ppm, respectively, in the 1H-NMR (CDCl3). The lower-field signal was assigned to the erythro-diastereomer, analogously to the literature. 1H-NMR in CDCl3 see Table 2.

Reference： [1]Patent: US2014/364315,2014,A1 .Location in patent: Paragraph 0726

7
[ 3650-78-0 ]
[ 75567-84-9 ]

Reference： [1]Inorganic Chemistry,2016,vol. 55,p. 2345 - 2354

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P233	Keep container tightly closed.
P234	Keep only in original container.
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P320
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P321
P322
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P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
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.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
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P362	Take off contaminated clothing and wash before reuse.
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P370	In case of fire:
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P372	Explosion risk in case of fire.
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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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P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
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.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
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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P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
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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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P501	Dispose of contents/container to ...
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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H261	In contact with water releases flammable gas
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H290	May be corrosive to metals
Health hazards
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H301	Toxic if swallowed
H302	Harmful if swallowed
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H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
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H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
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H319	Causes serious eye irritation
H320	Causes eye irritation
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H331	Toxic if inhaled
H332	Harmful if inhaled
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H370	Causes damage to organs
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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

[ CAS No. 3650-78-0 ] {[proInfo.proName]}

Quality Control of [ 3650-78-0 ]

Related Doc. of [ 3650-78-0 ]

Product Details of [ 3650-78-0 ]

Safety of [ 3650-78-0 ]

Application In Synthesis of [ 3650-78-0 ]

[ 3650-78-0 ] Synthesis Path-Upstream 1~3

[ 3650-78-0 ] Synthesis Path-Downstream 1~7

Related Functional Groups of [ 3650-78-0 ]

Aryls

Alkenes

Bromides

Esters

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 3650-78-0 ]