[ CAS No. 741687-07-0 ]

Name: tert-Butyl 4-amino-4-ethylpiperidine-1-carboxylate
Brand: Ambeed
SKU: A572860
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Quality Control of [ 741687-07-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 741687-07-0 ]

SDS

Product Details of [ 741687-07-0 ]

CAS No. :	741687-07-0	MDL No. :	MFCD12408566
Formula :	C₁₂H₂₄N₂O₂	Boiling Point :	300.561°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	228.33	Pubchem ID :	45095672
Synonyms :

Computed Properties of [ 741687-07-0 ]

TPSA :Topological Polar Surface Area	-	H-Bond Acceptor Count :	-
XLogP3 :	-	H-Bond Donor Count :	-
SP3 :	-	Rotatable Bond Count :	-

Safety of [ 741687-07-0 ]

Signal Word:	Warning	Class	N/A
Precautionary Statements:	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 741687-07-0 ]

Downstream synthetic route of [ 741687-07-0 ]

[ 741687-07-0 ] Synthesis Path-Downstream 1~10

1
4-ethyl-4-isocyanato-piperidine-1-carboxylic acid <i>tert</i>-butyl ester [ No CAS ]
[ 741687-07-0 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium trimethylsilonate; In tetrahydrofuran; at 18 - 25℃; for 18h;	Step B. To a solution of the above solid from step A (3.28g) in THF (50ml) was addedpotassium trimethylsilanolate (3.68g) and the resulting mixture was stirred at roomtemperature for 18 hours. The reaction mixture was partitioned between dichloromethane andsaturated sodium bicarbonate. The organic extracts were dried (MgSO4) and evaporated todryness to give the sub-title compound (2.42g) as an orange oil which was used withoutfurther purification. NMR(d6 DMSO): 0.75 (t, 3H), 1.1-1.4 (m, 6H), 1.3 (s, 9H), 3.1 (m, 2H),3.45(m,2H).

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 3675 - 3678
[2]Patent: WO2006/1752,2006,A1.Location in patent: Page/Page column 81

2
[ 91419-52-2 ]
[ 741687-07-0 ]

Reference： [1]Patent: WO2016/94824,2016,A1

3
[ 5798-75-4 ]
[ 741687-07-0 ]
C₂₁H₃₂N₂O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
59%	With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; ruphos; In toluene; at 100℃;	A. solution of the compound 4 (1.0 g, 4.4 mmoi). ethyl 4-bromobenzoar.e (943 nig, 4.4 mmol), Pd2(dba)3 (202 mg, 0.22 mmol), Ruphos (103 mg, 0.22 nunol) arid Cs2CO3 (2.9 g, 8.8 inmol) in toluene (25 in) was stirred at 100C overnight. The mixture was concentrated and purified by silica gel column with EA:PE = 1:5 to affbrd compound 5 (1.0 g, 59%) as a light yellow solid.

Reference： [1]Patent: WO2016/94824,2016,A1.Location in patent: Page/Page column 51; 52

4
[ 741687-07-0 ]
C₂₉H₃₅N₅O₃S [ No CAS ]

Reference： [1]Patent: WO2016/94824,2016,A1

5
[ 741687-07-0 ]
C₂₄H₂₈N₄OS*ClH [ No CAS ]

Reference： [1]Patent: WO2016/94824,2016,A1

6
[ 741687-07-0 ]
C₃₄H₄₄N₄O₅S [ No CAS ]

Reference： [1]Patent: WO2016/94824,2016,A1

7
[ 741687-07-0 ]
C₁₉H₂₈N₂O₄ [ No CAS ]

Reference： [1]Patent: WO2016/94824,2016,A1

8
[ 741687-07-0 ]
C₂₉H₃₆N₆O₂S [ No CAS ]

Reference： [1]Patent: WO2016/94824,2016,A1

9
[ 741687-07-0 ]
C₃₄H₄₄N₆O₄S [ No CAS ]

Reference： [1]Patent: WO2016/94824,2016,A1

10
C₁₃H₂₄N₂O₃ [ No CAS ]
[ 741687-07-0 ]

Yield	Reaction Conditions	Operation in experiment
55%	With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; potassium hydroxide; In acetonitrile; at 20℃;	To a solution of the compound 3 (20.5 g, 80 rnmoi) in CH3CN (200 ml) and 5N KOH (10() nil) was added i,3-dibromo-5,5-dimethylimidazohdine-2,4-diorie (11.1 g, 40nunol). The mixture was stirred overnight at room temperature. Afier completion, the mixture was concentrated to remove CH3CN. Adjustment of the pH of the water phase to 5 was with 2N HC1 in ice bath, the mixture was extracted with EA and separated i1en adjustment of the pH of water phase to 10. The precipitate was collected to afford the compound 4 (10 g, 55%) as a white solid.

Reference： [1]Patent: WO2016/94824,2016,A1.Location in patent: Page/Page column 51; 52

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[ 741687-07-0 ]

Amines

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Related Parent Nucleus of
[ 741687-07-0 ]

Piperidines

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Ghs Precautionary Statements

Precautionary Statements-General
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P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
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P230	Keep wetted
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P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
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P240	Ground/bond container and receiving equipment.
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P262	Do not get in eyes, on skin, or on clothing.
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Response
Code	Phrase
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P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
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P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
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P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
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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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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
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:
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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P401
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P413
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P422
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.
Disposal
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P501	Dispose of contents/container to ...
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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
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
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

[ CAS No. 741687-07-0 ]

Quality Control of [ 741687-07-0 ]

Related Doc. of [ 741687-07-0 ]

Product Details of [ 741687-07-0 ]

Computed Properties of [ 741687-07-0 ]

Safety of [ 741687-07-0 ]

Application In Synthesis of [ 741687-07-0 ]

[ 741687-07-0 ] Synthesis Path-Downstream 1~10

Related Functional Groups of [ 741687-07-0 ]

Amines

Amides

Related Parent Nucleus of [ 741687-07-0 ]

Piperidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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Related Functional Groups of
[ 741687-07-0 ]

Related Parent Nucleus of
[ 741687-07-0 ]