[ CAS No. 139004-93-6 ] {[proInfo.proName]}

Name: 139004-93-6|(S)-tert-Butyl (piperidin-2-ylmethyl)carbamate|95%
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Quality Control of [ 139004-93-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 139004-93-6 ]

Product Details of [ 139004-93-6 ]

CAS No. :	139004-93-6	MDL No. :	MFCD11112267
Formula :	C₁₁H₂₂N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DIRUVVRMWMDZAE-VIFPVBQESA-N
M.W :	214.31	Pubchem ID :	1501973
Synonyms :

Calculated chemistry of [ 139004-93-6 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.91
Num. rotatable bonds :	5
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	64.11
TPSA :	50.36 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.61 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.84
Log Po/w (XLOGP3) :	1.41
Log Po/w (WLOGP) :	1.27
Log Po/w (MLOGP) :	1.15
Log Po/w (SILICOS-IT) :	1.2
Consensus Log Po/w :	1.58

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.73
Solubility :	4.02 mg/ml ; 0.0188 mol/l
Class :	Very soluble
Log S (Ali) :	-2.07
Solubility :	1.82 mg/ml ; 0.00847 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.45
Solubility :	0.757 mg/ml ; 0.00353 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.74

Safety of [ 139004-93-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 139004-93-6 ]

* 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 [ 139004-93-6 ]
Downstream synthetic route of [ 139004-93-6 ]

[ 139004-93-6 ] Synthesis Path-Upstream 1~8

1
[ 248914-23-0 ]
[ 139004-93-6 ]

Yield	Reaction Conditions	Operation in experiment
87%	Stage #1: With hydrogen; acetic acid In tetrahydrofuran at 40℃; for 21 h; Stage #2: With sodium hydroxide In water	The weights and volumes refer to amount of Intermediate 1.Palladium on charcoal (0.15 wt, 10percent Pd/C, Johnson Matthey type 490 paste) and acetic acid (0.73 vol) were added to the solution of Intermediate 3 in THF under an atmosphere of nitrogen. Hydrogenation was done at 1200-1300 mbar and 40°C. Conversion was complete after 21 hours.The catalyst was removed by filtration and the filter cake was washed with THF (2 x 2.2 vol). The combined filtrates were concentrated at 50 ⁰C jacket temperature and reduced pressure to -2.8 vol. Toluene (2.6 vol) was added and the distillation was continued under reduced pressure to leave -2.8 vol.Toluene (5 vol) was added and the product was extracted with an aqueous solution of citric acid (3 x 3 vol; citric acid: 450 g/L). The combined aqueous layers were <n="17"/>extracted with toluene (4 x 5 vol). The pH of the aqueous layer was adjusted to >10 by addition of 30percent NaOH (approx. 6.5 vol) and the mixture was extracted with THF (3 x 5 vol). The combined organic layers were dried with sodium sulfate (2 wt). The sodium sulfate was removed by filtration and the filter cake was washed with THF (2 x 1.3 vol).The combined filtrates were concentrated at 50 ⁰C jacket temperature and reduced pressure to 4.25 vol. Methyl cyclohexane (3 x 4.3 vol) was added in 3 portions andthe distillation was continued. Further solvent (3 x 4.3 vol) was removed under reduced pressure.Methyl cyclohexane (0.53 vol) was added, the suspension was cooled over 4 hours to -10⁰C, and stirred for 12 hours at this temperature. The slurry was filtered, washed with methyl cyclohexane (0.66 vol) at -10 to -5°C, and dried at 50⁰C jacket temperature and reduced pressure to the title compound as a white solid. Corrected yield (percent theory): 87percent

Reference： [1] Patent: WO2009/34133, 2009, A1, . Location in patent: Page/Page column 14-15
[2] Heterocycles, 1999, vol. 51, # 9, p. 2065 - 2072

2
[ 24424-99-5 ]
[ 139004-93-6 ]

Reference： [1] Tetrahedron Letters, 1991, vol. 32, # 49, p. 7183 - 7186

3
[ 18650-39-0 ]
[ 139004-93-6 ]

Reference： [1] Tetrahedron Letters, 1991, vol. 32, # 49, p. 7183 - 7186

4
[ 19889-77-1 ]
[ 139004-93-6 ]

Reference： [1] Tetrahedron Letters, 1991, vol. 32, # 49, p. 7183 - 7186

5
[ 139004-92-5 ]
[ 139004-93-6 ]

Reference： [1] Tetrahedron Letters, 1991, vol. 32, # 49, p. 7183 - 7186

6
[ 139004-91-4 ]
[ 139004-93-6 ]

Reference： [1] Tetrahedron Letters, 1991, vol. 32, # 49, p. 7183 - 7186

7
[ 3105-95-1 ]
[ 139004-93-6 ]

Reference： [1] Tetrahedron Letters, 1991, vol. 32, # 49, p. 7183 - 7186

8
[ 153918-98-0 ]
[ 139004-93-6 ]

Reference： [1] Heterocycles, 1999, vol. 51, # 9, p. 2065 - 2072

[ 139004-93-6 ] Synthesis Path-Downstream 1~25

1
((S)-1-Benzyl-piperidin-2-ylmethyl)-carbamic acid tert-butyl ester [ No CAS ]
[ 139004-93-6 ]

Reference： [1]Tetrahedron Letters,1991,vol. 32,p. 7183 - 7186

2
[ 139004-93-6 ]
[ 79-04-9 ]
[ 248914-24-1 ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2065 - 2072

4
[ 24424-99-5 ]
pentacarbonyl<1-<<(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl>oxy>-(E)-3-phenyl-2-propenylidene>chromium [ No CAS ]
[ 139004-93-6 ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2065 - 2072

5
[ 139004-93-6 ]
[ 179605-63-1 ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2065 - 2072

6
[ 139004-93-6 ]
[ 248914-28-5 ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2065 - 2072

7
[ 139004-93-6 ]
(S)-2-tert-butoxycarbonyl-1,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine [ No CAS ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2065 - 2072

8
[ 139004-93-6 ]
[ 248914-26-3 ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2065 - 2072

9
[ 153918-98-0 ]
[ 139004-93-6 ]

Reference： [1]Heterocycles,1999,vol. 51,p. 2065 - 2072

10
[ 24424-99-5 ]
[ 139004-93-6 ]

Reference： [1]Tetrahedron Letters,1991,vol. 32,p. 7183 - 7186

11
[ 18650-39-0 ]
[ 139004-93-6 ]

Reference： [1]Tetrahedron Letters,1991,vol. 32,p. 7183 - 7186

12
[ 19889-77-1 ]
[ 139004-93-6 ]

Reference： [1]Tetrahedron Letters,1991,vol. 32,p. 7183 - 7186

13
[ 139004-92-5 ]
[ 139004-93-6 ]

Reference： [1]Tetrahedron Letters,1991,vol. 32,p. 7183 - 7186

14
[ 139004-91-4 ]
[ 139004-93-6 ]

Reference： [1]Tetrahedron Letters,1991,vol. 32,p. 7183 - 7186

15
[ 3105-95-1 ]
[ 139004-93-6 ]

Reference： [1]Tetrahedron Letters,1991,vol. 32,p. 7183 - 7186

16
[ 1038509-18-0 ]
[ 139004-93-6 ]
[ 1083282-96-5 ]

Yield	Reaction Conditions	Operation in experiment
100%		2-Cyclopropyl-5-(2-fluoro-phenyl)-thiazole-4-carboxylic acid (1.13 g, 4.29 mmol) was dissolved in MeCN (15 mL) followed by the addition of TBTU (1.5 g, 4.68 mmol) and DIPEA (1.7 mL, 9.75 mmol). The reaction mixture was stirred at rt for 30 min. (S)-Piperidin-2-ylmethyl-carbamic acid tert-butyl ester (836 mg, 3.9 mmol) dissolved in DCM (10 mL) was subsequently added to the reaction mixture. Stirring at rt was continued for 16 h. The reaction mixture was diluted with DCM and extracted with water. The organic layer was dried over MgSO4, filtered and concentrated under reduced pressure to give 1.79 g (quant. yield) of (5)-{1-[2-cyclopropyl-5-(2-fluoro-phenyl)-thiazole-4-carbonyl]-piperidin-2-ylmethyl}-carbamic acid tert-butyl ester which was used in the next step without further purification. LC-MS: tR=1.06 min; [M+H]+=460.21.
100%		STEP 1: (S)-{l-[2-Cyclopropyl-5-(2-fluoro-phenyl)-thiazole-4-carbonyl]-piperidin- 2-ylmethyl}-carbamic acid tert-butyl ester2-Cyclopropyl-5-(2-fluoro-phenyl)-thiazole-4-carboxylic acid (1.13 g, 4.29 mmol) was dissolved in MeCN (15 mL) followed by the addition of TBTU (1.5 g, 4.68 mmol) and DIPEA (1.7 mL, 9.75 mmol). The reaction mixture was stirred at rt for 30 min. (S)- Piperidin-2-ylmethyl-carbamic acid tert-butyl ester (836 mg, 3.9 mmol) dissolved in DCM (10 mL) was subsequently added to the reaction mixture. Stirring at rt was continued for 16 h. The reaction mixture was diluted with DCM and extracted with water. The organic layer was dried over MgSO4, filtered and concentrated under reduced pressure to give 1.79 g (quant, yield) of (S)-{l-[2-cyclopropyl-5-(2-fluoro- phenyl)-thiazole-4-carbonyl]-piperidin-2-ylmethyl}-carbamic acid tert-butyl ester which was used in the next step without further purification. LC-MS: tR = 1.06 min; [M+H]+ = 460.21.

Reference： [1]Patent: US2010/222328,2010,A1 .Location in patent: Page/Page column 25
[2]Patent: WO2008/139416,2008,A1 .Location in patent: Page/Page column 51

17
[ 380899-53-6 ]
[ 139004-93-6 ]
[ 380899-36-5 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In dichloromethane; at 18 - 24℃; for 61h;	All volumes and weights refer to the weight of Intermediate 4.The reactor was charged with Intermediate 7 (1.2 eq) and dichloromethane (8.6 vol). Solvent (6.9 vol) was removed at a jacket temperature of 46-49 0C under reduced pressure. Dichloromethane (8.6 vol) was added. Solvent (8.4 vol) was removed at a jacket temperature of 49 0C under reduced pressure. Dichloromethane (7.0 vol) was added. DMF (0.05 vol, 0.14 eq) and dichloromethane (0.2 vol) were added. A solution of oxalyl chloride (0.47 vol, 1.2 eq) in dichloromethane (0.2 vol) was added at 20-170C over 18 minutes. The addition vessel was rinsed with dichloromethane (0.2 vol) and the solution was added. The mixture was stirred for 2.5 hours at 16- 210C. The reaction mixture was stored under nitrogen in a feed tank, the reactor was rinsed with dichloromethane (1 vol) and this solution was added to the reaction mixture in the feed tank. The reactor was dried under vacuum and charged with Intermediate 4 (1.0 eq, 1.0 wt), dichloromethane (3.3 vol) and NEt3 (2.0 vol, 3.0 eq). The solution in the feed tank was added at 20-24 0C over 48 minutes. The feed tank was rinsed with dichloromethane (0.3 vol) and the solution was added. The mixture was stirred overnight (13 hours) at 18-20 0C.20% aq K2CO3 (7 vol) was added at 20-170C over 18 minutes. The mixture was stirred for 1 hour at 17-21 0C. After phase separation (2 hours) water (2.4 vol) was added to the lower organic phase at 18-19C over 1 minute. The mixture was stirred for 15 minutes at 19-20 0C. After phase separation (42 min) solvent (11.6 vol) was removed at a max. jacket temperature of 49 0C under reduced pressure. Ethyl acetate (9.4 vol) was added. Solvent (9.4 vol) was removed at a maximum jacket temperature of 61 0C under reduced pressure. Ethyl acetate (9.4 vol) was added. Solvent (9.4 vol) was removed at a maximum jacket temperature of 79 0C under reduced pressure and heptane (10.7 vol) was added at 66-61 0C over 50 minutes. The mixture was cooled to 15 0C over 1 hour, stirred 15 0C overnight and filtered. The filter cake was washed with a mixture of ethyl acetate (0.29 vol) and heptane (2.1 vol) and dried in 3 portions at a maximum jacket temperature of 40 0C and reduced pressure at the rotavap to give the title compound as a beige solid. Yield (% theory): 93%

Reference： [1]Patent: WO2009/34133,2009,A1 .Location in patent: Page/Page column 19
[2]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 5562 - 5567

19
[ 1137129-05-5 ]
[ 139004-93-6 ]
[ 1137129-14-6 ]

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 1; (S)-6-methyl-imidazo[2,1-b]thiazole-5-carboxylic acid{1-[5-(4-fluoro-phenyl)-2-(2-fluoro-phenyl)-thiazole-4-carbonyl]-piperidin-2-ylmethyl}-amide; 1.1. (S)-{1-[2-bromo-5-(4-fluoro-phenyl)-thiazole-4-carbonyl]-piperidin-2-ylmethyl}-carbamic acid tert-butyl ester; 2-bromo-5-(4-fluoro-phenyl)-thiazole-4-carboxylic acid (1.02 g, 3.38 mmol) was dissolved in acetonitrile (20 ml) followed by the addition of TBTU (1.19 g, 3.72 mmol) and DIPEA (547 mg, 4.22 mmol). Stirring was continued for 30 min. at rt. A solution of <strong>[139004-93-6](S)-piperidin-2-ylmethyl-carbamic acid tert-butyl ester</strong> (725 mg, 3.38 mmol) in acetonitrile (20 ml) was added to the reaction mixture within 10 minutes and stiring was continued at rt for 24 h. The reaction mixture was concentrated under reduced pressure followed by the addition of aq. HCl (0.5 M, 50 ml). Stirring was continued for 30 min. The precipitated product was filtered off, washed with cold water and dried at HV to give the expected product (1.57 g). LC-MS: tR=1.03 min; [M+H]+=500.38.

Reference： [1]Patent: US2010/197733,2010,A1 .Location in patent: Page/Page column 12-13

20
[ 139004-93-6 ]
[ 78-84-2 ]
[ 879609-50-4 ]

Yield	Reaction Conditions	Operation in experiment
		(a) (S)-N-((1-Isobutylpiperidin-2-yl)methyl)-2-methylpropan-1-amine. A mixture of <strong>[139004-93-6](S)-tert-butyl piperidin-2-ylmethylcarbamate</strong> (1.07 g, 5 mmol, Astatech) and 50% TFA in DCM (10 mL) was stirred at room temperature for 30 min. The reaction mixture was evaporated under reduced pressure and the residue was dried under vacuo for 16 h. The residue was dissolved in DCM (10 mL), isobutyraldehyde (1.44 g, 20 mmol) and NaBH(OAc)3 (4.22 g, 20 mmol, Aldrich) were added, and the mixture was stirred for 1 h at room temperature. The reaction mixture was evaporated under reduced pressure and the residue was diluted with sat. aqueous solution of NaHCO3 (100 mL) and extracted with EtOAc (2*75 mL). The combined organic extracts were washed with brine (20 mL), dried over Na2SO4, and filtered. The filtrate was evaporated in vacuo and the residue was purified by silica gel chromatography (MeOH) to give the title compound. MS (ESI, pos. ion) m/z: 227 (M+1).

Reference： [1]Patent: US2006/58308,2006,A1 .Location in patent: Page/Page column 68

21
[ 139004-93-6 ]
(+/-)-SB-649868 [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 5562 - 5567

22
[ 139004-93-6 ]
[ 380899-51-4 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 5562 - 5567

23
[ 139004-93-6 ]
[ 1083281-00-8 ]

Reference： [1]Patent: WO2008/139416,2008,A1

24
[ 139004-93-6 ]
[ 1083283-00-4 ]

Reference： [1]Patent: WO2008/139416,2008,A1

25
tert-butyl (2-((2-fluoro-5-((3,4,5-trifluorophenyl)carbamoyl)phenyl)sulfonamido)ethyl)carbamate [ No CAS ]
[ 139004-93-6 ]
tert-butyl (S)-((1-((2-fluoro-5-((3,4,5-trifluorophenyl)carbamoyl)phenyl)sulfonyl)piperidin-2-yl)methyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 0 - 20℃; for 0.833333h;	General procedure: D7 (80mg, 0.220mmol) was dissolved in MeCN (1.2mL) and cooled to 0C. Triethylamine(0.06mL, 0.440mmol) and tert-butyl(2-aminoethyl)carbamate (0.07mL, 0.440mmol) were addedand the reaction mixture was stirred at ooc for 10min then at RT for 40min. The reaction wasdiluted with EtOAc and washed twice with 5% citric acid solution. Organic layer was dried overNazS04, filtered and concentrated under vacuo. The resulting crude product was purified by flashchromatography on silica (DCM/MeOH) to obtain the title compound D47 (84mg) as white solid.Method 1; Rt=2.23min, m/z=492.14 (M+Ht. 1H NMR (300 MHz, DMSO-d6) 8 ppm 1.35 (s, 9H) 2.79- 3.07 (m, 4 H) 6.57- 6.91 (m, 1 H) 7.53- 7.82 (m, 3 H) 8.04 (br s, 1 H) 8.23- 8.32 (m, 1H) 8.38 (dd, J=6.88, 2.29 Hz, 1 H) 10.77 (br s, 1 H).

Reference： [1]Patent: WO2020/16434,2020,A1 .Location in patent: Page/Page column 94; 102

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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.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
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.
P403 + P235	Store in a well-ventilated place. Keep cool.
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
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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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. 139004-93-6 ] {[proInfo.proName]}

Quality Control of [ 139004-93-6 ]

Related Doc. of [ 139004-93-6 ]

Product Details of [ 139004-93-6 ]

Calculated chemistry of [ 139004-93-6 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 139004-93-6 ]

Application In Synthesis of [ 139004-93-6 ]

[ 139004-93-6 ] Synthesis Path-Upstream 1~8

[ 139004-93-6 ] Synthesis Path-Downstream 1~25

Related Functional Groups of [ 139004-93-6 ]

Amides

Amines

Related Parent Nucleus of [ 139004-93-6 ]

Aliphatic Heterocycles

Piperidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 139004-93-6 ]

Related Parent Nucleus of
[ 139004-93-6 ]