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[ CAS No. 639520-70-0 ] {[proInfo.proName]}

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Chemical Structure| 639520-70-0

Chemical Structure| 639520-70-0

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Quality Control of [ 639520-70-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 639520-70-0 ]

SDS Specification

Alternatived Products of [ 639520-70-0 ]

Product Details of [ 639520-70-0 ]

CAS No. :	639520-70-0	MDL No. :	MFCD12913712
Formula :	C₁₂H₁₆BrNO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MUCSVQRHNPYUIE-UHFFFAOYSA-N
M.W :	286.16	Pubchem ID :	21873211
Synonyms :

Calculated chemistry of [ 639520-70-0 ]

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.42
Num. rotatable bonds :	4
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	69.29
TPSA :	29.54 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.66 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.24
Log Po/w (XLOGP3) :	3.36
Log Po/w (WLOGP) :	3.82
Log Po/w (MLOGP) :	3.32
Log Po/w (SILICOS-IT) :	2.29
Consensus Log Po/w :	3.21

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.74
Solubility :	0.0515 mg/ml ; 0.00018 mol/l
Class :	Soluble
Log S (Ali) :	-3.66
Solubility :	0.0629 mg/ml ; 0.00022 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.87
Solubility :	0.0388 mg/ml ; 0.000136 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.21

Safety of [ 639520-70-0 ]

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 [ 639520-70-0 ]

* 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.

Downstream synthetic route of [ 639520-70-0 ]

[ 639520-70-0 ] Synthesis Path-Downstream 1~41

1
[ 201230-82-2 ]
[ 6638-79-5 ]
[ 639520-70-0 ]
tert-butyl N-methyl-N-(4-N-methoxy-N-methylbenzamide)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
95%	With sodium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene at 80℃; for 13h;
95%	With palladium diacetate; sodium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene at 80℃; for 13h;

Reference： [1]Martinelli, Joseph R.; Freckmann, Dominique M. M.; Buchwald, Stephen L. [Organic Letters, 2006, vol. 8, # 21, p. 4843 - 4846]
[2]Martinelli, Joseph R.; Watson, Donald A.; Freckmann, Dominique M. M.; Barder, Timothy E.; Buchwald, Stephen L. [Journal of Organic Chemistry, 2008, vol. 73, # 18, p. 7102 - 7107]

2
[ 131818-17-2 ]
[ 74-88-4 ]
[ 639520-70-0 ]

Yield	Reaction Conditions	Operation in experiment
		5.0 mmol of 4-bromoaniline (0.86 g) is dissolved in 10 mL [OF THF ;] 1.09 g (5.0 mmol) of di-tert-butyl dicarbonate is added, and the resultant solution is warmed to [50 C FOR] 5 hours. The reaction is partitioned between water and ethyl acetate; the organic layer is washed with brine, dried over [NA2S04,] and and concentrated to give a white solid. This crude material is dissolved in 20 mL of dry THF and cooled in an ice [BATH ;] and 250 mg (1.25 eq) of NaH (60% oil dispersion) is added portionwise. Gas evolves, leaving a foamy semisolid after 15 min. Additional THF (10 mL) is added to break up the foam, followed by 0. [50] mL (1.6 eq) of [IODOMETHANE.] The resultant mixture is stirred overnight, warming slowly to ambient temperature. The reaction mixture is added carefully to aqueous IN [H3P04] (some gas evolves.), the resulting mixture is extracted with ethyl acetate. The organic layer is washed with brine and dried over [NA2S04.] The crude product is purified by silica gel chromatography, eluting with a gradient [OF 0->10%] ethyl [ACETATE/HEXANES,] providing 1.08 g (76% overall) of the title compound as a slightly yellowish oil.
	With caesium carbonate; In DMF (N,N-dimethyl-formamide); at 20℃; for 18h;	0.263 mL (1.1 eq. ) iodomethane are added dropwise at room temperature to a stirred suspension of 1.1 g (4 mmol) (4-bromo-phenyl)-carbamic acid tert-butyl ester and 2 g (1.6 eq. ) cesium carbonate in 15 mL DMF. After stirring for an additional18 hours, the reaction mixture is extracted with WATER/ETHYL acetate and the combined organic phases are washed with brine, dried over magnesium sulfate and evaporated to yield the desired product as a colorless oil, which is used without further purification.

Reference： [1]Patent: WO2004/869,2003,A1 .Location in patent: Page 22
[2]Patent: WO2004/87684,2004,A1 .Location in patent: Page 10-11
[3]Journal of Organic Chemistry,2015,vol. 80,p. 1258 - 1263

3
[ 84371-57-3 ]
[ 639520-70-0 ]
[ 639520-75-5 ]

Yield	Reaction Conditions	Operation in experiment
90%	Stage #1: 4-(N-tert-butyloxycarbonyl-N-methylamino)phenyl bromide With iodine; magnesium In tetrahydrofuran at 20℃; for 0.416667h; Heating / reflux; Stage #2: With copper(l) iodide In tetrahydrofuran at 0℃; for 0.0333333h; Stage #3: (5'R,8'S,10'R,13'S,14'S,17'S)-13'-methyl-17'-(prop-1-yn-1-yl)-1',2',7',8',12',13',14',15',16',17'-decahydro-4'H,6'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol With ammonium chloride more than 3 stages;	1G Example [1G]l; tert-butyl 4-((5R,11R,13S,17S)-5,17-dihydroxy-13-methy1-17-prop-1-yny1- [1, 2, 4, 5, 6, 7, 8, 11,] 12,13, 14,15, 16,17-tetradecahydrospiro [[CYCLOPENTALALPHENANTHRENE-3,] 2'- [RL,] [33LDIOXOLAN]-YL)] phenyl (methyl) carbamate A 50 mL flask charged with Mg powder (44 mg, 1.8 mmol) was dried with heat-gun under N2. After the apparatus was cooled to room temperature, THF (2 mL) and a small [CRYSTE] of iodine were added. To the efficiently stirred mixture was added 0.6 mL of a solution of the compound of Example 1D (500 mg, 1.75 mmol) in THF (2 mL). After the mixture was heated to reflux for about 5 minutes, the iodine color quickly faded to colorless and then the mixture was cooled to room temperature. The remainder of the bromide solution was added dropwise over 20 minutes. The mixture was cooled in an ice-water bath for 30 minutes and then CuI (132 mg, 0.69 mmol, powder) was added in one portion. After the mixture was stirred for 2 minutes, a solution of the compound of Example 1F (256 mg, 0.69 mmol) in THF (2 [ML)] was added, causing the formation of a voluminous light yellow precipitate. After 30 minutes, [NH4C1] (5 mL, sat) solution was slowly added, followed by EtOAc (10 mL). After the mixture was stirred for 10 minutes, the aqueous layer was separated and extracted with EtOAc. The combined organic layer was washed with brine (3x), dried over [NA2S04] and concentrated. The crude product was purified by HPLC (normal phase) to provide the title compound (352 mg, 90% yield).

Reference： [1]Current Patent Assignee: ABBOTT LABORATORIES INC; Eqt Partners AB - WO2004/869, 2003, A1 Location in patent: Page 23; 24

4
[ 639520-95-9 ]
[ 639520-70-0 ]
[ 639520-97-1 ]

Yield	Reaction Conditions	Operation in experiment
34%	Stage #1: 4-(N-tert-butyloxycarbonyl-N-methylamino)phenyl bromide With magnesium In tetrahydrofuran Heating / reflux; Stage #2: With copper(l) iodide In tetrahydrofuran at 0℃; for 0.0333333h; Stage #3: (5'R,10'R,13'S,16'R,17'S)-13',16'-dimethyl-17'-prop-1-ynyl-1',2',7',8',12',13',14',15',17'-nonahydro-6'H-spiro[1,3-dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-ol With sodium hydrogencarbonate; ammonium chloride; toluene-4-sulfonic acid more than 3 stages;	4C [(11] ß, 16a, [17A)-17-HYDROXY-16-METHYL-11- (4- (METHYLAMINO)] phenyl) -17-prop-1-ynylestra-4,9- dien-3-one Rieke Mg (1.0 M in THF, 13 mL) was added to a flame-dried three-necked round- bottom flask (fitted with a reflux condenser, glass stopper and rubber septum) along with 20 mL THF. The compound described in Example 1D (1.86 g, 6.50 mmol) was then added dropwise. After the addition of a small portion of the bromide, the flask was heated with a heat gun until the reaction initiated. The remaining bromide was added in portions, allowing for the reaction mixture to come to reflux and then cool. Upon completion of addition, the reaction solution cooled to room temperature and then was cooled in an ice bath. CuI (1.23, 6.50 mmol) was added in one portion. After 2 minutes, a solution of the compound described in Example 4B (1.0 g, 2.6 mmol) in 6 mL THF was added rapidly. After stirring at [0 °C] for 1 hour, the reaction was quenched with aqueous [NH4C1] and extracted with ethyl acetate. The organic extracts were washed with brine, dried [(MGS04)] and concentrated. The crude residue was dissolved in 7.6 mL THF and 6 [ML] [CH2C12.] To that solution was added TsOH (3.8 g, 19.9 mmol) and the resulting solution was stirred at room temperature for 3 h. Sat. aq. [NAHCO3] was added to neutralize the reaction and the resulting solution was extracted with ethyl acetate. The organic extracts were washed with brine, dried [(MGS04)] concentrated and purified by column chromatography (70: 30 hexanes: ethyl acetate). The title compound was isolated in 34% yield (250 mg).

Reference： [1]Current Patent Assignee: ABBOTT LABORATORIES INC; Eqt Partners AB - WO2004/869, 2003, A1 Location in patent: Page 36; 37

5
[ 67-56-1 ]
[ 201230-82-2 ]
[ 639520-70-0 ]
[ 741275-29-6 ]

Yield	Reaction Conditions	Operation in experiment
86%	With palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene at 70℃; for 24h;

Reference： [1]Martinelli, Joseph R.; Watson, Donald A.; Freckmann, Dominique M. M.; Barder, Timothy E.; Buchwald, Stephen L. [Journal of Organic Chemistry, 2008, vol. 73, # 18, p. 7102 - 7107]

6
[ 24424-99-5 ]
[ 106-40-1 ]
[ 74-88-4 ]
[ 639520-70-0 ]

Reference： [1]Martinelli, Joseph R.; Watson, Donald A.; Freckmann, Dominique M. M.; Barder, Timothy E.; Buchwald, Stephen L. [Journal of Organic Chemistry, 2008, vol. 73, # 18, p. 7102 - 7107]

7
4-((1-(N,N-dimethylsulfamoyl)-1H-imidazol-4-yl)methyl)-piperidine [ No CAS ]
[ 639520-70-0 ]
N,N-dimethyl-4-((1-(4-(N-Boc,N-methylamino)phenyl)-piperidin-4-yl)methyl)-1H-imidazole-1-sulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
100%	Stage #1: 4-((1-(N,N-dimethylsulfamoyl)-1H-imidazol-4-yl)methyl)-piperidine; 4-(N-tert-butyloxycarbonyl-N-methylamino)phenyl bromide With di-μ-bromobis(tri-tert-butylphosphino)dipalladium(I) In toluene for 2h; Reflux; Stage #2: With water In toluene

Reference： [1]Location in patent: experimental part Ishikawa, Makoto; Furuuchi, Takeshi; Yamauchi, Miki; Yokoyama, Fumikazu; Kakui, Nobukazu; Sato, Yasuo [Bioorganic and Medicinal Chemistry, 2010, vol. 18, # 14, p. 5441 - 5448]

8
[ 111-42-2 ]
[ 639520-70-0 ]
[ 1280078-67-2 ]

Yield	Reaction Conditions	Operation in experiment
62%	Stage #1: 4-(N-tert-butyloxycarbonyl-N-methylamino)phenyl bromide With n-butyllithium In tetrahydrofuran at -78℃; for 0.166667h; Inert atmosphere; Stage #2: With Triisopropyl borate In tetrahydrofuran at -78 - 20℃; for 1h; Stage #3: 2,2'-iminobis[ethanol] In diethyl ether; isopropyl alcohol	Typical experimental procedure for the synthesis of aryl dioxazaborocane General procedure: To 1 equiv of bromoaryl in THF (1 mmol/mL) under Argon at -78 °C is added dropwisely 1 equiv of n-BuLi. After 10 min at -78 °C neat B(O-iPr)3 is dropwisely added. The resulting mixture is stirred for 1 h while allowed to warm to room temperature. Diethyl ether and a saturated solution of ammonium chloride are then added, and the resulting mixture is stirred for 30 min. The organic and aqueous phases are separated, the aqueous phase is then extracted with ether, and the organic phases are washed with brine. The organic phase is dried over MgSO4 and filtered. The diethanolamine solution (i-PrOH, 3 M, 1 equiv) is added under stirring. A solid precipitates instantly. The mixture is filtered, and the solid is washed with ether and dried under vacuum.

Reference： [1]Location in patent: experimental part Bonin, Hélne; Leuma-Yona, Rodrigue; Marchiori, Bruno; Demonchaux, Patrice; Gras, Emmanuel [Tetrahedron Letters, 2011, vol. 52, # 10, p. 1132 - 1135]

9
[ 639520-70-0 ]
[ 1280078-95-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere 1.2: 1 h / -78 - 20 °C 2.1: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; triphenylphosphine / water; N,N-dimethyl-formamide / 100 °C / Inert atmosphere

Reference： [1]Bonin, Hélne; Leuma-Yona, Rodrigue; Marchiori, Bruno; Demonchaux, Patrice; Gras, Emmanuel [Tetrahedron Letters, 2011, vol. 52, # 10, p. 1132 - 1135]

10
[ 639520-70-0 ]
[ 1280078-97-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere 1.2: 1 h / -78 - 20 °C 2.1: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; triphenylphosphine / water; N,N-dimethyl-formamide / 100 °C / Inert atmosphere

Reference： [1]Bonin, Hélne; Leuma-Yona, Rodrigue; Marchiori, Bruno; Demonchaux, Patrice; Gras, Emmanuel [Tetrahedron Letters, 2011, vol. 52, # 10, p. 1132 - 1135]

11
[ 639520-70-0 ]
[ 1280079-00-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran / 0.17 h / -78 °C / Inert atmosphere 1.2: 1 h / -78 - 20 °C 2.1: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; triphenylphosphine / water; N,N-dimethyl-formamide / 100 °C / Inert atmosphere

Reference： [1]Bonin, Hélne; Leuma-Yona, Rodrigue; Marchiori, Bruno; Demonchaux, Patrice; Gras, Emmanuel [Tetrahedron Letters, 2011, vol. 52, # 10, p. 1132 - 1135]

12
[ 24424-99-5 ]
[ 6911-87-1 ]
[ 639520-70-0 ]

Yield	Reaction Conditions	Operation in experiment
95%	In ethanol at 20℃; for 70h;
38%	With dmap; triethanolamine In dichloromethane at 20℃; for 16h;
	In tetrahydrofuran at 80℃; for 12h;	4 Compound 16 (1 g, 5.43 mmol) was dissolved in THF and Boc anhydride (2.36 g, 10.86 mmol) was added. The mixture was refluxed at 80° C. for 12 hours and then concentrated under reduced pressure. The mixture was chromatographed (Hexane:Ethyl acetate = 9:1) to synthesize compound 17.

Reference： [1]Malysheva, Yulia B.; Combes, Sebastien; Fedorov, Alexey Yu.; Knochel, Paul; Gavryushin, Andrei E. [Synlett, 2012, vol. 23, # 8, p. 1205 - 1208]
[2]Current Patent Assignee: APRINOIA THERAPEUTICS CN - WO2019/214681, 2019, A1 Location in patent: Paragraph 0198-0200
[3]Current Patent Assignee: KOREA ATOMIC ENERGY RESEARCH INSTITUTE - KR102240400, 2021, B1 Location in patent: Paragraph 0111; 0116-0117

13
[ 32857-49-1 ]
[ 639520-70-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: potassium diphenylphosphine / tetrahydrofuran / 2 h / -78 °C / Inert atmosphere 1.2: 0.5 h / 20 °C / Inert atmosphere 2.1: sodium hydroxide / tetrahydrofuran; water / 12 h / Inert atmosphere

Reference： [1]Yoshida, Suguru; Igawa, Kazunobu; Tomooka, Katsuhiko [Journal of the American Chemical Society, 2012, vol. 134, # 47, p. 19358 - 19361]

14
[ 24424-99-5 ]
[ 84250-73-7 ]
[ 639520-70-0 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide In tetrahydrofuran; water for 12h; Inert atmosphere;

Reference： [1]Yoshida, Suguru; Igawa, Kazunobu; Tomooka, Katsuhiko [Journal of the American Chemical Society, 2012, vol. 134, # 47, p. 19358 - 19361]

15
[ 395-01-7 ]
[ 639520-70-0 ]
[ 1577232-96-2 ]

Yield	Reaction Conditions	Operation in experiment
88%	With potassium phosphate monohydrate; C₂₈H₄₁ClNPPd In toluene at 100℃; for 30h; Sealed tube;

Reference： [1]Ge, Shaozhong; Chaładaj, Wojciech; Hartwig, John F. [Journal of the American Chemical Society, 2014, vol. 136, # 11, p. 4149 - 4152]

16
[ 395-01-7 ]
[ 639520-70-0 ]
[ 1577233-12-5 ]

Yield	Reaction Conditions	Operation in experiment
81%	Stage #1: 2,2-difluoro-1-phenylethanone; 4-(N-tert-butyloxycarbonyl-N-methylamino)phenyl bromide With potassium phosphate monohydrate; C₂₈H₄₁ClNPPd In toluene at 100℃; for 30h; Sealed tube; Stage #2: With water; potassium hydroxide In toluene at 100℃; for 2h; Sealed tube;

Reference： [1]Ge, Shaozhong; Chaładaj, Wojciech; Hartwig, John F. [Journal of the American Chemical Society, 2014, vol. 136, # 11, p. 4149 - 4152]

17
N,N-diethyl-α,α-difluoro-α-(trimethylsilyl)acetamide [ No CAS ]
[ 639520-70-0 ]
tert-butyl (4-(2-(diethylamino)-1,1-difluoro-2-oxoethyl)phenyl)(methyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
89%	With potassium fluoride; C₂₆H₃₉ClNPPd In 1,4-dioxane; toluene at 100℃; for 30h; Inert atmosphere; Glovebox;

Reference： [1]Ge, Shaozhong; Arlow, Sophie I.; Mormino, Michael G.; Hartwig, John F. [Journal of the American Chemical Society, 2014, vol. 136, # 41, p. 14401 - 14404]

18
[ 24424-99-5 ]
[ 639520-70-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: methanol / 6 h / 100 °C 2: sodium hydride / tetrahydrofuran / 0.02 h / 5 °C

Reference： [1]Chen, Ming; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui [Journal of Organic Chemistry, 2015, vol. 80, # 2, p. 1258 - 1263]

19
[ 106-40-1 ]
[ 639520-70-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: methanol / 6 h / 100 °C 2: sodium hydride / tetrahydrofuran / 0.02 h / 5 °C

Reference： [1]Chen, Ming; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui [Journal of Organic Chemistry, 2015, vol. 80, # 2, p. 1258 - 1263]

20
[ 639520-70-0 ]
[ 6911-87-1 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride In water at 120℃;

Reference： [1]Chen, Ming; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui [Journal of Organic Chemistry, 2015, vol. 80, # 2, p. 1258 - 1263]

21
[ 639520-70-0 ]
ethyl 5-bromo-2-(methylamino)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: hydrogenchloride / water / 120 °C 2: palladium diacetate; copper diacetate; potassium iodide; potassium acetate / N,N-dimethyl-formamide / 13 h / 100 °C / 760.05 Torr

Reference： [1]Chen, Ming; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui [Journal of Organic Chemistry, 2015, vol. 80, # 2, p. 1258 - 1263]

22
[ 639520-70-0 ]
C₁₃H₁₇F⁽¹⁸⁾FNO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: chloro(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II); caesium carbonate / toluene / 14.7 h / 100 °C / Schlenk technique; Inert atmosphere 2.1: tetraethylammonium (F<SUP>18</SUP>)-flouride; tetraethylammonium bicarbonate; N-bromophthalimide / acetonitrile; chlorobenzene / 0.08 h / 100 °C / Schlenk technique; Inert atmosphere 2.2: 0.25 h / 100 °C

Reference： [1]Shi, Hang; Braun, Augustin; Wang, Lu; Liang, Steven H.; Vasdev, Neil; Ritter, Tobias [Angewandte Chemie - International Edition, 2016, vol. 55, # 36, p. 10786 - 10790][Angew. Chem., 2016, vol. 128, # 36, p. 10944 - 10948,5]

23
[ 450-95-3 ]
[ 639520-70-0 ]
(4-N-Boc-methylamino)phenylfluoroacetophenone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	With chloro(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II); caesium carbonate In toluene at 100℃; for 14.7h; Schlenk technique; Inert atmosphere;

Reference： [1]Shi, Hang; Braun, Augustin; Wang, Lu; Liang, Steven H.; Vasdev, Neil; Ritter, Tobias [Angewandte Chemie - International Edition, 2016, vol. 55, # 36, p. 10786 - 10790][Angew. Chem., 2016, vol. 128, # 36, p. 10944 - 10948,5]

24
[ 700-76-5 ]
[ 639520-70-0 ]
tert-butyl (R)-(4-(2-fluoro-1-oxo-2,3-dihydro-1H-inden-2-yl)phenyl)(methyl)carbamate [ No CAS ]
tert-butyl (S)-(4-(2-fluoro-1-oxo-2,3-dihydro-1H-inden-2-yl)phenyl)(methyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
83 % ee	With potassium phosphate monohydrate; (R)-dicycloheptyl(2'-(naphthalen-1-ylmethoxy)-[1,1'-binaphthalen]-2-yl)phosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾ In cyclohexane at 50℃; for 36h; Inert atmosphere; Sealed tube; Overall yield = 70 %; Overall yield = 50 mg; enantioselective reaction;

Reference： [1]Jiao, Zhiwei; Beiger, Jason J.; Jin, Yushu; Ge, Shaozhong; Zhou, Jianrong Steve; Hartwig, John F. [Journal of the American Chemical Society, 2016, vol. 138, # 49, p. 15980 - 15986]

25
[ 700-76-5 ]
[ 639520-70-0 ]
tert-butyl (4-(2-fluoro-1-oxo-2,3-dihydro-1H-inden-2-yl)phenyl)(methyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium phosphate monohydrate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; ruphos In cyclohexane at 65℃; for 36h; Inert atmosphere; Sealed tube;

Reference： [1]Jiao, Zhiwei; Beiger, Jason J.; Jin, Yushu; Ge, Shaozhong; Zhou, Jianrong Steve; Hartwig, John F. [Journal of the American Chemical Society, 2016, vol. 138, # 49, p. 15980 - 15986]

26
C₁₉H₂₃BrINO₃ [ No CAS ]
[ 639520-70-0 ]

Yield	Reaction Conditions	Operation in experiment
82 %Spectr.	for 1h; Heating;

Reference： [1]Linstad, Ethan J.; Vāvere, Amy L.; Hu, Bao; Kempinger, Jayson J.; Snyder, Scott E.; DiMagno, Stephen G. [Organic and Biomolecular Chemistry, 2017, vol. 15, # 10, p. 2246 - 2252]

27
[ 873-66-5 ]
[ 213596-33-9 ]
[ 639520-70-0 ]
tert-butyl (4-(1-(4-methoxyphenyl)-1-phenylpropan-2-yl)phenyl)(methyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
42%	With potassium ethoxide; bis(pinacol)diborane; nickel dichloride In toluene at 80℃; for 24h; Inert atmosphere; Sealed tube; diastereoselective reaction;

Reference： [1]Gao, Pin; Chen, Liang-An; Brown, M. Kevin [Journal of the American Chemical Society, 2018, vol. 140, # 34, p. 10653 - 10657]

28
[ 73183-34-3 ]
[ 98-83-9 ]
[ 639520-70-0 ]
C₂₇H₃₈BNO₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With (1,3-dimesitylimidazolidin-2-yl)copper(I) chloride; APhosPdG₃; lithium tert-butoxide In tetrahydrofuran; toluene at 30℃; for 12h; Inert atmosphere; Sealed tube;

Reference： [1]Bergmann, Allison M.; Dorn, Stanna K.; Smith, Kevin B.; Logan, Kaitlyn M.; Brown, M. Kevin [Angewandte Chemie - International Edition, 2019, vol. 58, # 6, p. 1719 - 1723][Angew. Chem., 2019, vol. 131, # 6, p. 1733 - 1737,5]

29
[ 73183-34-3 ]
[ 98-83-9 ]
[ 639520-70-0 ]
C₂₇H₃₈BNO₄ [ No CAS ]
C₂₇H₃₈BNO₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
88 % ee	With ((2R,3R)-6-mesityl-2,3-diphenyl-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-5-yl)copper(I) chloride; APhosPdG₃; lithium tert-butoxide In tetrahydrofuran; toluene at 30℃; for 12h; Inert atmosphere; Sealed tube; enantioselective reaction;

Reference： [1]Bergmann, Allison M.; Dorn, Stanna K.; Smith, Kevin B.; Logan, Kaitlyn M.; Brown, M. Kevin [Angewandte Chemie - International Edition, 2019, vol. 58, # 6, p. 1719 - 1723][Angew. Chem., 2019, vol. 131, # 6, p. 1733 - 1737,5]

30
[ 639520-70-0 ]
tert-butyl (R)-(4-(1-hydroxy-2-phenylpropan-2-yl)phenyl)(methyl)carbamate [ No CAS ]
tert-butyl (4-(1-hydroxy-2-phenylpropan-2-yl)phenyl)(methyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: (1,3-dimesitylimidazolidin-2-yl)copper(I) chloride; APhosPdG₃; lithium tert-butoxide / toluene; tetrahydrofuran / 12 h / 30 °C / Inert atmosphere; Sealed tube 2: sodium hydroxide; dihydrogen peroxide / tetrahydrofuran / 3 h / 0 - 22 °C / Inert atmosphere

Reference： [1]Bergmann, Allison M.; Dorn, Stanna K.; Smith, Kevin B.; Logan, Kaitlyn M.; Brown, M. Kevin [Angewandte Chemie - International Edition, 2019, vol. 58, # 6, p. 1719 - 1723][Angew. Chem., 2019, vol. 131, # 6, p. 1733 - 1737,5]

31
[ 639520-70-0 ]
tert-butyl (4-(1-hydroxy-2-phenylpropan-2-yl)phenyl)(methyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: (1,3-dimesitylimidazolidin-2-yl)copper(I) chloride; APhosPdG₃; lithium tert-butoxide / toluene; tetrahydrofuran / 12 h / 30 °C / Inert atmosphere; Sealed tube 2: sodium hydroxide; dihydrogen peroxide / tetrahydrofuran / 3 h / 0 - 22 °C / Inert atmosphere

Reference： [1]Bergmann, Allison M.; Dorn, Stanna K.; Smith, Kevin B.; Logan, Kaitlyn M.; Brown, M. Kevin [Angewandte Chemie - International Edition, 2019, vol. 58, # 6, p. 1719 - 1723][Angew. Chem., 2019, vol. 131, # 6, p. 1733 - 1737,5]

32
[ 100-42-5 ]
[ 639520-70-0 ]
C₂₀H₂₅NO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
81%	With (1,2-dimethoxyethane)dichloronickel(II); sodium t-butanolate In benzene at 25℃; for 14h; regioselective reaction;

Reference： [1]Nguyen, Julia; Chong, Andrea; Lalic, Gojko [Chemical Science, 2019, vol. 10, # 11, p. 3231 - 3236]

33
[ 6683-51-8 ]
[ 73183-34-3 ]
[ 639520-70-0 ]
tert-butyl methyl(4-(2-methyl-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl)phenyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
84%	With (1,2-dimethoxyethane)dichloronickel(II); N,N-dimethyl acetamide; sodium t-butanolate In tetrahydrofuran at 0 - 4℃; for 18h; Inert atmosphere; Sealed tube; regioselective reaction;

Reference： [1]Sardini, Stephen R.; Lambright, Alison L.; Trammel, Grace L.; Omer, Humair M.; Liu, Peng; Brown, M. Kevin [Journal of the American Chemical Society, 2019, vol. 141, # 23, p. 9391 - 9400]

34
[ 99770-93-1 ]
[ 639520-70-0 ]
tert-butyl N-methyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
42%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate In water; toluene at 110℃; for 16h;

Reference： [1]Current Patent Assignee: APRINOIA THERAPEUTICS CN - WO2019/214681, 2019, A1 Location in patent: Paragraph 0198; 0201-0202

35
[ 639520-70-0 ]
tert-butyl N-[5-[4-(6-azanyl-1,3-benzothiazol-2-yl)phenyl]pyridin-2-yl]-N-methylcarbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; toluene / 16 h / 110 °C 2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / 1,4-dioxane; water / 3 h / 110 °C

Reference： [1]Current Patent Assignee: APRINOIA THERAPEUTICS CN - WO2019/214681, 2019, A1

36
[ 639520-70-0 ]
tert-butyl N-[5-[4-[6-[(3-fluoranyl-2-oxidanylpropyl)amino]-1,3-benzothiazol-2-yl]phenyl]pyridin-2-yl]-N-methylcarbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; toluene / 16 h / 110 °C 2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / 1,4-dioxane; water / 3 h / 110 °C 3: methanol / 16 h / 50 °C

Reference： [1]Current Patent Assignee: APRINOIA THERAPEUTICS CN - WO2019/214681, 2019, A1

37
N-methyl-N-phenylcyclopent-3-ene-1-carboxamide [ No CAS ]
[ 73183-34-3 ]
[ 639520-70-0 ]
tert-butyl methyl(4-(4-(methyl(phenyl)carbamoyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl)phenyl)carbamate [ No CAS ]
tert-butyl methyl(4-(4-(methyl(phenyl)carbamoyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl)phenyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
81.818 % de	With (1,2-dimethoxyethane)dichloronickel(II); potassium <i>tert</i>-butylate In toluene at 50℃; for 18h; Inert atmosphere; Sealed tube; Overall yield = 64 percent; Overall yield = 171 mg; diastereoselective reaction;

Reference： [1]Lambright, Alison L.; Liu, Yanyao; Joyner, Isaac A.; Logan, Kaitlyn M.; Brown, M. Kevin [Organic Letters, 2021, vol. 23, # 2, p. 612 - 616]

38
[ 639520-70-0 ]
C₃₆H₄₀N₂O₅S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / toluene; ethanol / 5 h / 120 °C 2: butan-1-ol / 24 h / 130 °C

Reference： [1]Current Patent Assignee: KOREA ATOMIC ENERGY RESEARCH INSTITUTE - KR102240400, 2021, B1

39
[ 639520-70-0 ]
(E)-4-(1,1-dimethyl-2-(2-(5-(4-(methylamino)phenyl)thiophen-2-yl)vinyl)-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / toluene; ethanol / 5 h / 120 °C 2: butan-1-ol / 24 h / 130 °C 3: trifluoroacetic acid / dichloromethane / 12 h / 20 °C

Reference： [1]Current Patent Assignee: KOREA ATOMIC ENERGY RESEARCH INSTITUTE - KR102240400, 2021, B1

40
(5-formylthiophen-2-yl)boronic acid [ No CAS ]
[ 639520-70-0 ]
C₁₇H₁₉NO₃S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In ethanol; toluene at 120℃; for 5h;	4 General procedure: Compound 17 (200 mg, 0.7 mmol) and Pd(PPh3)4 (80 mg, 0.07 mmol) were dissolved in toluene (10 ml). Compound 9, 10 (0.7 mmol) was dissolved in EtOH (8 mL) and added to the mixture. Then, 2 M K2CO3 (2 mL) was added, refluxed at 120° C. for 5 hours, and then concentrated under reduced pressure. The formed mixture was separated by chromatography (Hexane:Ethyl acetate = 4:1) to synthesize compound 18 or 19.

Reference： [1]Current Patent Assignee: KOREA ATOMIC ENERGY RESEARCH INSTITUTE - KR102240400, 2021, B1 Location in patent: Paragraph 0111; 0116; 0118

41
[ 75400-67-8 ]
[ 73183-34-3 ]
[ 639520-70-0 ]
tert-butyl 3-(4-((tert-butoxycarbonyl)(methyl)amino)phenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indoline-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
73%	With (1,2-dimethoxyethane)dichloronickel(II); sodium t-butanolate In tetrahydrofuran; N,N-dimethyl acetamide at 10℃; for 24h; Inert atmosphere; Glovebox; regioselective reaction;

Reference： [1]Brown, M. Kevin; Crook, Phillip F.; Kuniyil, Rositha; Liu, Peng; Trammel, Grace L. [Journal of the American Chemical Society, 2021, vol. 143, # 40, p. 16502 - 16511]

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
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
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
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.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
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:
P333	If skin irritation or rash occurs:
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:
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.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
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.
P381	Eliminate all ignition sources if safe to do so.
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.
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

Ghs Hazard Statements

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