[ CAS No. 1476776-55-2 ] {[proInfo.proName]}

Name: 1476776-55-2|tert-Butyl (3s)-3-(4-bromophenyl)-piperidine-1-carboxylate|98%
Brand: Ambeed
SKU: A151380
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Quality Control of [ 1476776-55-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1476776-55-2 ]

SDS Specification

Alternatived Products of [ 1476776-55-2 ]

Product Details of [ 1476776-55-2 ]

CAS No. :	1476776-55-2	MDL No. :	MFCD27987933
Formula :	C₁₆H₂₂BrNO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	340.26	Pubchem ID :	-
Synonyms :

Safety of [ 1476776-55-2 ]

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

Application In Synthesis of [ 1476776-55-2 ]

* 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 [ 1476776-55-2 ]
Downstream synthetic route of [ 1476776-55-2 ]

[ 1476776-55-2 ] Synthesis Path-Upstream 1~18

1
[ 24424-99-5 ]
[ 1335523-82-4 ]
[ 1476776-55-2 ]

Yield	Reaction Conditions	Operation in experiment
99%	With sodium hydroxide In water at 20 - 35℃;	In a 500 mL eggplant-shaped flask,15 g (36.4 mmol) of compound (6) and 1.5 g (36.4 mmol) of sodium hydroxide were added,150ml and 50ml water,Boc anhydride 9.5 g (43.7 mmol) was added dropwise.Stir at room temperature overnightTLC showed complete reaction,Separate the organic layer,Sodium sulfate drying,It was concentrated by filtration to obtain 12.3 g of an oily compound (7).The yield is 99percent.98.1percent purity.
11.2 g	With dmap; triethylamine In dichloromethane at 20℃; for 8 h;	Example 7 Compound 8 (9.20 g, 0.038 mol) was added 60 mL of dichloromethane, di-tert-butyl dicarbonate (10.8 g, 0.05 mol), triethylamine (5.70 g, 0.057 mol), DMAP (0.460 g, 3.80 mmol) was reacted at room temperature for 8 hours. The reaction was washed with saturated sodium bicarbonate and dried over anhydrous sodium sulfate. The organic phase was evaporated to dryness to give 11.2 g of a pale yellow solid.

Reference： [1] Patent: CN107663190, 2018, A, . Location in patent: Paragraph 0075; 0076; 0077
[2] Patent: CN106854176, 2017, A, . Location in patent: Paragraph 0046; 0047

2
[ 1476776-66-5 ]
[ 1476776-55-2 ]

Reference： [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

3
[ 24424-99-5 ]
[ 1476776-53-0 ]
[ 1476776-55-2 ]

Reference： [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

4
[ 6340-79-0 ]
[ 1476776-55-2 ]

Reference： [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227
[2] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

5
[ 1284448-67-4 ]
[ 1476776-55-2 ]

Reference： [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227
[2] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

6
[ 1476776-39-2 ]
[ 1476776-55-2 ]

Reference： [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227
[2] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

7
[ 1476776-40-5 ]
[ 1476776-55-2 ]

Reference： [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227
[2] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

8
[ 108-86-1 ]
[ 1476776-55-2 ]

Reference： [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227
[2] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

9
[ 1476776-44-9 ]
[ 1476776-55-2 ]

Reference： [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

10
[ 1335523-82-4 ]
[ 1476776-55-2 ]

Reference： [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

11
[ 1476776-62-1 ]
[ 1476776-55-2 ]

Reference： [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

12
[ 1476776-64-3 ]
[ 1476776-55-2 ]

Reference： [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

13
[ 1476776-61-0 ]
[ 1476776-55-2 ]

Reference： [1] Organic Process Research and Development, 2014, vol. 18, # 1, p. 215 - 227

14
[ 1008-88-4 ]
[ 1476776-55-2 ]

Reference： [1] Patent: CN106854176, 2017, A,

15
[ 129013-83-8 ]
[ 1476776-55-2 ]

Reference： [1] Patent: CN106854176, 2017, A,

16
[ 769944-72-1 ]
[ 1476776-55-2 ]

Reference： [1] Patent: CN106854176, 2017, A,

17
[ 204851-47-8 ]
[ 1476776-55-2 ]

Reference： [1] Patent: CN107311911, 2017, A,

18
[ 1878-68-8 ]
[ 1476776-55-2 ]

Reference： [1] Patent: CN107311911, 2017, A,

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Ghs Precautionary Statements

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Code	Phrase
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P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
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Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
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P308	IF exposed or concerned:
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P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
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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:
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P361	Remove/Take off immediately all contaminated clothing.
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P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
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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:
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P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
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H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
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

Yield	Reaction Conditions	Operation in experiment
99%	With sodium hydroxide; In water; at 20 - 35℃;	In a 500 mL eggplant-shaped flask,15 g (36.4 mmol) of compound (6) and 1.5 g (36.4 mmol) of sodium hydroxide were added,150ml and 50ml water,Boc anhydride 9.5 g (43.7 mmol) was added dropwise.Stir at room temperature overnightTLC showed complete reaction,Separate the organic layer,Sodium sulfate drying,It was concentrated by filtration to obtain 12.3 g of an oily compound (7).The yield is 99%.98.1% purity.
11.2 g	With dmap; triethylamine; In dichloromethane; at 20℃; for 8h;	Example 7 Compound 8 (9.20 g, 0.038 mol) was added 60 mL of dichloromethane, di-tert-butyl dicarbonate (10.8 g, 0.05 mol), triethylamine (5.70 g, 0.057 mol), DMAP (0.460 g, 3.80 mmol) was reacted at room temperature for 8 hours. The reaction was washed with saturated sodium bicarbonate and dried over anhydrous sodium sulfate. The organic phase was evaporated to dryness to give 11.2 g of a pale yellow solid.
	With triethylamine; In dichloromethane; at 20℃; for 15h;	To (S)-3-(4-bromophenyl)-piperidine (1.35 g, 5.62 mmol) at room temperatureAnd triethylamine (1.14 g, 11.2 mmol) in CH2Cl2 (13 mL)Di-tert-butyl dicarbonate (1.5 g, 6.74 mmol) was added to the suspension.After stirring for 15 h, the resulting suspension was partitioned between ethyl acetate and sodium hydroxide.The aqueous layer was extracted with ethyl acetate.The combined organic layers were washed with EtOAc EtOAc m.The residue was washed with hexane to give the product (S)-(4-bromophenyl)-piperidine-1-carboxylic acid tert-butyl ester.It is a solid.

[ CAS No. 1476776-55-2 ] {[proInfo.proName]}

Quality Control of [ 1476776-55-2 ]

Related Doc. of [ 1476776-55-2 ]

Product Details of [ 1476776-55-2 ]

Safety of [ 1476776-55-2 ]

Application In Synthesis of [ 1476776-55-2 ]

[ 1476776-55-2 ] Synthesis Path-Upstream 1~18

[ 1476776-55-2 ] Synthesis Path-Downstream 1~39

Pharmaceutical Intermediates of [ 1476776-55-2 ]

Niraparib Intermediates

Related Functional Groups of [ 1476776-55-2 ]

Aryls

Bromides

Amides

Related Parent Nucleus of [ 1476776-55-2 ]

Aliphatic Heterocycles

Piperidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Pharmaceutical Intermediates of
[ 1476776-55-2 ]

Related Functional Groups of
[ 1476776-55-2 ]

Related Parent Nucleus of
[ 1476776-55-2 ]