[ CAS No. 80745-61-5 ]

Name: 80745-61-5|4-Iodobicyclo[2.2.2]octane-1-carboxylic acid|95%
Brand: Ambeed
SKU: A1513083
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Quality Control of [ 80745-61-5 ]

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Product Details of [ 80745-61-5 ]

CAS No. :	80745-61-5	MDL No. :
Formula :	C₉H₁₃IO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	AEMUWTWTDIUOLJ-UHFFFAOYSA-N
M.W :	280.10	Pubchem ID :	53248317
Synonyms :

Safety of [ 80745-61-5 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 80745-61-5 ]

* 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 [ 80745-61-5 ]

[ 80745-61-5 ] Synthesis Path-Downstream 1~50

1
[ 67-56-1 ]
[ 80745-61-5 ]
[ 94994-00-0 ]

Yield	Reaction Conditions	Operation in experiment
92%	With sulfuric acid In dichloromethane for 24h; Heating;

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

2
[ 773-34-2 ]
[ 80745-61-5 ]

Yield	Reaction Conditions	Operation in experiment
83%	With hydrogen iodide; acetic anhydride for 120h; Heating;
	Multi-step reaction with 2 steps 1: 58 percent / t-butyl hypoiodite / 1,1,2-trichloro-1,2,2-trifluoro-ethane / Irradiation 2: 55 percent / 55percent aq. HI / 48 h / Heating

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]
[2]Abeywickrema, Ramyani S.; Della, Ernest W. [Australian Journal of Chemistry, 1981, vol. 34, # 11, p. 2331 - 2337]

3
[ 108-24-7 ]
[ 74467-18-8 ]
[ 80745-61-5 ]

Yield	Reaction Conditions	Operation in experiment
55%	With hydrogen iodide for 48h; Heating;

Reference： [1]Abeywickrema, Ramyani S.; Della, Ernest W. [Australian Journal of Chemistry, 1981, vol. 34, # 11, p. 2331 - 2337]

4
[ 80745-61-5 ]
4-iodobicyclo[2.2.2]octyl-1-carboxylic acid chloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With thionyl chloride at 80℃;
	With Dichloromethyl methyl ether In chloroform-d1 at 50℃; for 72h; Inert atmosphere;
	With thionyl chloride at 50℃; for 2h;	4 Example 4. Preparation of A44-iodobicyclo[2.2.2]octyl-1-carboxylic acid chloride: 100g(357.1mmol) 4-iodobicyclo[2.2.2]octyl-1-carboxylic acid was added with 63.7g (535.7mmol) thionyl chloride, stirred at 50 for 2h, the reaction solution was directly concentrated under reduced pressure and used 3*5mL The toluene washing reaction solution was continuously concentrated for use.

Reference： [1]Abeywickrema, Ramyani S.; Della, Ernest W. [Australian Journal of Chemistry, 1981, vol. 34, # 11, p. 2331 - 2337]
[2]Location in patent: experimental part Al Hussainy, Rana; Verbeek, Joost; Van Der Born, Dion; Braker, Anton H.; Leysen, Josée E.; Knol, Remco J.; Booij, Jan; Herscheid [Journal of Medicinal Chemistry, 2011, vol. 54, # 10, p. 3480 - 3491]
[3]Current Patent Assignee: LUNAN PHARMACEUTICAL GROUP CO LTD - CN112062732, 2020, A Location in patent: Paragraph 0061; 0062; 0063

5
[ 80745-61-5 ]
[ 94994-21-5 ]

Yield	Reaction Conditions	Operation in experiment
61%	With dimethylsulfide borane complex In tetrahydrofuran; diethyl ether at 0℃; for 0.333333h;
	With dimethylsulfide borane complex In tetrahydrofuran
	With methanol; dimethylsulfide borane complex; sodium methylate 1.) THF, overnight, 2.) MeOH, reflux, 1 h, 3.) reflux; Yield given. Multistep reaction;

Reference： [1]Dallaston, Madeleine A.; Houston, Sevan D.; Williams, Craig M. [Chemistry - A European Journal, 2020, vol. 26, # 52, p. 11966 - 11970]
[2]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]
[3]Adcock, William; Clark, Christopher I.; Houmam, Abdelaziz; Krstic, Alexander R.; Saveant, Jean-Michel [Journal of Organic Chemistry, 1996, vol. 61, # 8, p. 2891 - 2894]

6
[ 80745-61-5 ]
(4-Iodo-bicyclo[2.2.2]oct-1-ylmethoxy)-trimethyl-silane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1.) borane-methyl sulfide, 3.) MeONa, MeOH / 1.) THF, overnight, 2.) MeOH, reflux, 1 h, 3.) reflux 2: 97 percent / pyridine / 1 h / Heating

Reference： [1]Adcock, William; Clark, Christopher I.; Houmam, Abdelaziz; Krstic, Alexander R.; Saveant, Jean-Michel [Journal of Organic Chemistry, 1996, vol. 61, # 8, p. 2891 - 2894]

7
[ 80745-61-5 ]
[ 1007-73-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 92 percent / H₂SO₄ / CH₂Cl₂ / 24 h / Heating 2: iodine monochloride / CCl₄ / 48 h / Ambient temperature 3: 91 percent / aq. KOH / ethanol

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

8
[ 80745-61-5 ]
[ 94994-17-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: 92 percent / H₂SO₄ / CH₂Cl₂ / 24 h / Heating 2: iodine monochloride / CCl₄ / 48 h / Ambient temperature 3: 91 percent / aq. KOH / ethanol 4: BH₃*(CH₃)2S / tetrahydrofuran

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

9
[ 80745-61-5 ]
[ 94994-03-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: 92 percent / H₂SO₄ / CH₂Cl₂ / 24 h / Heating 2: iodine monochloride / CCl₄ / 48 h / Ambient temperature 3: 91 percent / aq. KOH / ethanol 4: 44 percent Turnov_. / sulfur tetrafluoride / 48 h / 150 °C

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

10
[ 80745-61-5 ]
[ 94994-26-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: 92 percent / H₂SO₄ / CH₂Cl₂ / 24 h / Heating 2: iodine monochloride / CCl₄ / 48 h / Ambient temperature 3: 91 percent / aq. KOH / ethanol 4: BH₃*(CH₃)2S / tetrahydrofuran 5: pyridinium chlorochromate / CH₂Cl₂ / 15 h / Ambient temperature

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

11
[ 80745-61-5 ]
[ 94994-09-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: BH₃*(CH₃)2S / tetrahydrofuran 2: pyridinium chlorochromate / CH₂Cl₂ / 15 h / Ambient temperature

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

12
[ 80745-61-5 ]
[ 94993-97-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 7 steps 1: BH₃(CH₃)2S / tetrahydrofuran 2: pyridinium chlorochromate / CH₂Cl₂ / 15 h / Ambient temperature 3: 88 percent / tetrahydrofuran / -100 °C 4: 1.) n-BuLi / 1.) ether, THF, hexane, -100 deg C, 2.) ether, THF, hexane, reflux, 2 h 5: 1.) t-BuLi / 1.) ether, pentane, from -100 deg C to -80 deg C, 15 min, 2.) from -100 deg C to RT 6: tetrahydrofuran / 1.) from -100 deg C to RT, 2.) reflux, 24 h 7: KF2H₂O / dimethylformamide

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

13
[ 80745-61-5 ]
[ 94994-01-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 92 percent / H₂SO₄ / CH₂Cl₂ / 24 h / Heating 2: iodine monochloride / CCl₄ / 48 h / Ambient temperature

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

14
[ 80745-61-5 ]
[ 94993-91-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1: 92 percent / H₂SO₄ / CH₂Cl₂ / 24 h / Heating 2: iodine monochloride / CCl₄ / 48 h / Ambient temperature 3: 91 percent / aq. KOH / ethanol 4: BH₃*(CH₃)2S / tetrahydrofuran 5: pyridinium chlorochromate / CH₂Cl₂ / 15 h / Ambient temperature 6: tetrahydrofuran / 1.) from -100 deg C to RT, 2.) reflux, 24 h

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

15
[ 80745-61-5 ]
[ 94994-10-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: BH₃*(CH₃)2S / tetrahydrofuran 2: pyridinium chlorochromate / CH₂Cl₂ / 15 h / Ambient temperature 3: 88 percent / tetrahydrofuran / -100 °C

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

16
[ 80745-61-5 ]
[ 94994-06-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: 92 percent / H₂SO₄ / CH₂Cl₂ / 24 h / Heating 2: iodine monochloride / CCl₄ / 48 h / Ambient temperature 3: 91 percent / aq. KOH / ethanol 4: 45 percent Spectr_. / sulfur tetrafluoride / 48 h / 150 °C

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

17
[ 80745-61-5 ]
[ 94994-08-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: BH₃*(CH₃)2S / tetrahydrofuran 2: pyridinium chlorochromate / CH₂Cl₂ / 15 h / Ambient temperature 3: 88 percent / tetrahydrofuran / -100 °C 4: 1.) n-BuLi / 1.) ether, THF, hexane, -100 deg C, 2.) ether, THF, hexane, reflux, 2 h 5: 1.) t-BuLi / 1.) ether, pentane, from -100 deg C to -80 deg C, 15 min, 2.) from -100 deg C to RT

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

18
[ 80745-61-5 ]
[ 94993-98-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1: BH₃*(CH₃)2S / tetrahydrofuran 2: pyridinium chlorochromate / CH₂Cl₂ / 15 h / Ambient temperature 3: 88 percent / tetrahydrofuran / -100 °C 4: 1.) n-BuLi / 1.) ether, THF, hexane, -100 deg C, 2.) ether, THF, hexane, reflux, 2 h 5: 1.) t-BuLi / 1.) ether, pentane, from -100 deg C to -80 deg C, 15 min, 2.) from -100 deg C to RT 6: tetrahydrofuran / 1.) from -100 deg C to RT, 2.) reflux, 24 h

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

19
[ 80745-61-5 ]
[ 94994-11-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: BH₃*(CH₃)2S / tetrahydrofuran 2: pyridinium chlorochromate / CH₂Cl₂ / 15 h / Ambient temperature 3: 88 percent / tetrahydrofuran / -100 °C 4: 1.) n-BuLi / 1.) ether, THF, hexane, -100 deg C, 2.) ether, THF, hexane, reflux, 2 h

Reference： [1]Adcock, William; Kok, Gaik B. [Journal of Organic Chemistry, 1985, vol. 50, # 7, p. 1079 - 1087]

20
[ 80745-61-5 ]
[ 80745-63-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: SOCl₂ / 80 °C 2: NaN₃ / acetone / 1 h / 0 - 5 °C 3: 2.) conc. HCl / 1.) C₆H₆, reflux, 2.) reflux, 3 h

Reference： [1]Abeywickrema, Ramyani S.; Della, Ernest W. [Australian Journal of Chemistry, 1981, vol. 34, # 11, p. 2331 - 2337]

21
[ 80745-61-5 ]
[ 80745-57-9 ]

Yield	Reaction Conditions	Operation in experiment
71%	Stage #1: 4-iodobicyclo<2.2.2>octane-1-carboxylic acid With chloroformic acid ethyl ester; triethylamine In tetrahydrofuran at -30℃; for 1h; Stage #2: With ammonia In tetrahydrofuran at -20℃; for 0.833333h; Stage #3: With pyridine In tetrahydrofuran at 0℃; for 2h;	20.A.1; 20.A.2; 20.A.3 Step A. Intermediate 20A. Preparation of 4-iodobicyclo[2.2.2]octane-1-carbonitrile To a 250 mL round bottomed flask were added Intermediate 4B (0.56 g, 2.0 mmol), THF (20 mL) and TEA (0.42 mL, 3.0 mmol). The mixture was cooled to -30° C., then ethyl chloroformate (0.23 mL, 2.4 mmol) was added dropwise. The mixture was stirred for 1 h at -30° C. The reaction was filtered, both flask and filter cake were washed with an additional amount of ice cold THF (15 mL), and the reaction was cooled to -20° C. The mixture generated above was cooled to -20° C. and ammonia gas was dispersed through the mixture for 10 min. After stirring at this temperature for 40 min, the solvent was concentrated and the residue was taken onto the next step without purification or characterization. The residue from above was dissolved in THF (12 mL), pyridine (0.53 mL, 6.6 mmol) was added and the mixture was cooled to 0° C. To this mixture was added trifluoroacetic anhydride (0.57 mL, 4.0 mmol) and the reaction was stirred at this temperature for 2 h. To this mixture was added MeOH (5 mL) and 1 M K2HPO4 (aq.) (5 mL) and stirred for 30 min. The mixture was diluted with water (100 mL) and extracted with EtOAc (2×50 mL). The organic phase was combined, washed with 1 M HCl (aq.), brine, dried over Na2SO4, filtered and concentrated. The crude product was purified by flash column chromatography (40 g silica gel cartridge; A=Hex, B=EtOAc; 20 min grad.; 0% B to 50% B; flow rate=40 mL/min). The pure fractions were combined, concentrated and dried in vacuo to afford the title compound (0.37 g, 1.4 mmol, 71% yield) as a white solid. 1H NMR (500 MHz, CHLOROFORM-d) δ 2.56-2.46 (m, 6H), 2.14-2.04 (m, 6H).
	Multi-step reaction with 3 steps 1: SOCl₂ / 80 °C 2: 88 percent / NH₃ / diethyl ether / -5 °C 3: 80 percent / (CF₃CO)2O, pyridine / dioxane / 3 h / Ambient temperature

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1 Location in patent: Paragraph 0535-0538
[2]Abeywickrema, Ramyani S.; Della, Ernest W. [Australian Journal of Chemistry, 1981, vol. 34, # 11, p. 2331 - 2337]

22
[ 80745-61-5 ]
[ 80745-62-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: SOCl₂ / 80 °C 2: 88 percent / NH₃ / diethyl ether / -5 °C

Reference： [1]Abeywickrema, Ramyani S.; Della, Ernest W. [Australian Journal of Chemistry, 1981, vol. 34, # 11, p. 2331 - 2337]

23
[ 80745-61-5 ]
[ 80745-58-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: SOCl₂ / 80 °C 2: NaN₃ / acetone / 1 h / 0 - 5 °C 3: 2.) conc. HCl / 1.) C₆H₆, reflux, 2.) reflux, 3 h 4: 74 percent / benzene / 2 h / Heating

Reference： [1]Abeywickrema, Ramyani S.; Della, Ernest W. [Australian Journal of Chemistry, 1981, vol. 34, # 11, p. 2331 - 2337]

24
[ 80745-61-5 ]
4-Iodo-bicyclo[2.2.2]octane-1-carbonyl azide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: SOCl₂ / 80 °C 2: NaN₃ / acetone / 1 h / 0 - 5 °C

Reference： [1]Abeywickrema, Ramyani S.; Della, Ernest W. [Australian Journal of Chemistry, 1981, vol. 34, # 11, p. 2331 - 2337]

25
[ 787-07-5 ]
[ 80745-61-5 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1.1: sodium hydride / 1,2-dimethoxyethane; mineral oil / 0.5 h / 0 - 20 °C / Inert atmosphere 1.2: Inert atmosphere; Heating 2.1: hydrogenchloride / chloroform / 7 h / 0 °C / Inert atmosphere 3.1: Raney nickel (Ra-Ni) / ethanol / 4 h / Inert atmosphere; Reflux 4.1: potassium hydroxide / ethanol / Reflux 5.1: iodine; mercury(II) oxide / dichloromethane / 1 h / 80 - 90 °C / Inert atmosphere 6.1: potassium hydroxide / ethanol / 20 °C

Reference： [1]Al Hussainy, Rana; Verbeek, Joost; Van Der Born, Dion; Braker, Anton H.; Leysen, Josée E.; Knol, Remco J.; Booij, Jan; Herscheid [Journal of Medicinal Chemistry, 2011, vol. 54, # 10, p. 3480 - 3491]

26
[ 1299425-88-9 ]
[ 80745-61-5 ]

Yield	Reaction Conditions	Operation in experiment
92%	With potassium hydroxide In ethanol at 20℃;

27
[ 1686-98-2 ]
[ 80745-61-5 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: Raney nickel (Ra-Ni) / ethanol / 4 h / Inert atmosphere; Reflux 2: potassium hydroxide / ethanol / Reflux 3: iodine; mercury(II) oxide / dichloromethane / 1 h / 80 - 90 °C / Inert atmosphere 4: potassium hydroxide / ethanol / 20 °C

28
[ 843-59-4 ]
[ 80745-61-5 ]

Reference： [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3480 - 3491

29
[ 834-50-4 ]
[ 80745-61-5 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: iodine; mercury(II) oxide / dichloromethane / 1 h / 80 - 90 °C / Inert atmosphere 2: potassium hydroxide / ethanol / 20 °C

30
[ 1659-75-2 ]
[ 80745-61-5 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: potassium hydroxide / ethanol / Reflux 2: iodine; mercury(II) oxide / dichloromethane / 1 h / 80 - 90 °C / Inert atmosphere 3: potassium hydroxide / ethanol / 20 °C

31
[ 80745-61-5 ]
[ 905457-33-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: Dichloromethyl methyl ether / chloroform-d1 / 72 h / 50 °C / Inert atmosphere 2: triethylamine / chloroform-d1 / 20 °C / Inert atmosphere

32
[ 80745-61-5 ]
[ 1299426-08-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: Dichloromethyl methyl ether / chloroform-d1 / 72 h / 50 °C / Inert atmosphere 2.1: triethylamine / chloroform-d1 / 0.17 h / Inert atmosphere 2.2: 20 °C / Inert atmosphere

33
tert-butyl 4-amino-3-fluoro-5-mercaptobenzoate [ No CAS ]
[ 80745-61-5 ]
tert-butyl 4-fluoro-2-(4-iodobicyclo[2.2.2]octan-1-yl)benzo[d]thiazole-6-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
28%	With pyridine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In ethyl acetate; 1,2-dichloro-ethane at 80℃; for 5h; Inert atmosphere;	15.F Step F. Intermediate 15F. Preparation of tert-butyl 4-fluoro-2-(4-iodobicyclo[2.2.2]octan-1-yl)benzo[d]thiazole-6-carboxylate To a 100 mL pear shaped flask were added Intermediate 15E (0.35 g, 1.3 mmol), Intermediate 4B (0.46 g, 1.5 mmol), pyridine (0.30 mL, 3.8 mmol) and DCE (8 mL). To this mixture was added T3P (1.9 mL, 3.1 mmol) (50% w/v solution in EtOAc) and the reaction was stirred at 80° C. under N2 for 5 h. The solvent was concentrated and the crude product was purified by flash column chromatography (40 g silica gel cartridge; A=Hex, B=EtOAc; 20 min grad.; 0% B to 100% B; flow rate=40 mL/min). The pure fractions were combined, concentrated and dried in vacuo to afford the title compound (0.17 g, 0.35 mmol, 28% yield) as a pale yellow solid. 1H NMR (500 MHz, DICHLOROMETHANE-d2) δ 8.35 (d, J=1.4 Hz, 1H), 7.84-7.72 (m, 1H), 2.70-2.62 (m, 6H), 2.30-2.21 (m, 6H), 1.64 (s, 9H). MS (ESI) 488 (M+H).

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1 Location in patent: Paragraph 0508-0509

34
[ 37466-90-3 ]
[ 80745-61-5 ]
ethyl 3-amino-4-(4-iodobicyclo[2.2.2]octane-1-carboxamido)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
36%	With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; for 18h;	To a 20 mL scintillation vial were added Intermediate 4B (0.30 g, 1.1 mmol), <strong>[37466-90-3]ethyl 3,4-diaminobenzoate</strong> (0.29 g, 1.6 mmol), DMAP (0.26 g, 2.1 mmol) followed by DMF (5 mL). To this mixture was added EDC (0.41 g, 2.1 mmol) and the vial was capped and stirred for 18 h. The reaction was diluted with water (50 mL) and extracted with EtOAc (2*25 mL). The organic phase was combined, washed with brine, dried over Na2SO4, filtered and concentrated. The crude product was purified by flash column chromatography (40 g silica gel cartridge; A=Hex, B=EtOAc; 15 min grad.; 0% B to 100% B; flow rate=40 mL/min). The pure fractions were combined, concentrated and dried in vacuo to afford the title compound (0.17 g, 0.38 mmol, 36% yield) as a pale yellow oil. 1H NMR (500 MHz, METHANOL-d4) delta 7.73-7.68 (m, 1H), 7.68-7.63 (m, 1H), 6.87-6.77 (m, 1H), 4.37-4.25 (m, 2H), 2.60-2.51 (m, 6H), 2.13-2.05 (m, 6H), 1.42-1.32 (m, 3H). MS (ESI) 443 (M+H).

Reference： [1]Patent: US2019/127358,2019,A1 .Location in patent: Paragraph 0520-0521

35
[ 67704-17-0 ]
[ 80745-61-5 ]
methyl 3-(5-(4-iodobicyclo[2.2.2]octan-1-yl)-1,3,4-thiadiazol-2-yl)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
16%	Stage #1: methyl 3-(hydrazinecarbonyl)benzoate; 4-iodobicyclo<2.2.2>octane-1-carboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide for 2h; Stage #2: With diphosphorus pentasulfide In tetrahydrofuran at 50℃; for 18h;	19.A.1; 19.A.2 Step A. Intermediate 19A. Preparation of methyl 3-(5-(4-iodobicyclo[2.2.2]octan-1-yl)-1,3,4-thiadiazol-2-yl)benzoate To a mixture of Intermediate 4B (0.24 g, 0.84 mmol), methyl 3-(hydrazinecarbonyl)benzoate (0.16 g, 0.84 mmol) (Bradner, J. E. et al. WO 2014/071247), TEA (0.18 mL, 1.3 mmol) and HOBT (0.039 g, 0.25 mmol) in DMF (6 mL) was added EDC (0.24 g, 1.3 mmol) and the resulting mixture was stirred. After 2 h, the reaction was diluted with water (50 mL) and extracted with EtOAc (2×25 mL). The organic phase was combined, washed with brine, dried over Na2SO4, filtered and concentrated. The residue was dried in vacuo and taken onto the next step without characterization. Step 2: The product of Step 1 was dissolved in THF (5 mL), phosphorus pentasulfide (0.48 g, 2.2 mmol) was added and the reaction was stirred at 50° C. After 18 h, the reaction was cooled, filtered and the filtrate was concentrated. The crude product was purified by flash column chromatography (40 g silica gel cartridge; A=Hex, B=EtOAc; 20 min grad.; 0% B to 60% B; flow rate=40 mL/min). The pure fractions were combined, concentrated and dried in vacuo to afford the title compound (60 mg, 0.13 mmol, 16% yield) as a white solid. 1H NMR (400 MHz, DICHLOROMETHANE-d2) δ 8.41 (t, J=1.5 Hz, 1H), 8.05 (td, J=7.9, 1.4 Hz, 2H), 7.48 (t, J=7.8 Hz, 1H), 3.85 (s, 3H), 2.58-2.50 (m, 6H), 2.17-2.05 (m, 6H). MS (ESI) 455 (M+H).

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1 Location in patent: Paragraph 0530-0532

36
[ 67704-17-0 ]
[ 80745-61-5 ]
methyl 3-(5-(4-iodobicyclo[2.2.2]octan-1-yl)-1,3,4-oxadiazol-2-yl)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
17%	Stage #1: methyl 3-(hydrazinecarbonyl)benzoate; 4-iodobicyclo<2.2.2>octane-1-carboxylic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In acetonitrile for 2h; Stage #2: With N-ethyl-N,N-diisopropylamine; p-toluenesulfonyl chloride In acetonitrile for 18h; Inert atmosphere;	18.A Step A. Intermediate 18A. Preparation of methyl 3-(5-(4-iodobicyclo[2.2.2]octan-1-yl)-1,3,4-oxadiazol-2-yl)benzoate To a mixture of Intermediate 4B (0.24 g, 0.84 mmol), methyl 3-(hydrazinecarbonyl) benzoate (0.16 g, 0.84 mmol) (Bradner, J. E. et al. WO 2014/071247) and DIEA (0.44 mL, 2.5 mmol) in MeCN (10 mL) was added TBTU (0.30 g, 0.92 mmol). After stirring 2 h, DIEA (0.29 mL, 1.7 mmol), followed by p-toluenesulfonyl chloride (0.48 g, 2.5 mmol) were successively added and the resulting reaction mixture was stirred under N2. After 18 h, the mixture was diluted with 1 M K2HPO4 (aq.) (50 mL) and extracted with EtOAc (2*25 mL). The organic phase was combined, washed with brine, dried over Na2SO4, filtered and concentrated. The crude product was purified by flash column chromatography (40 g silica gel cartridge; A=Hex, B=EtOAc; 15 min grad.; 0% B to 100% B; flow rate=40 mL/min). The pure fractions were combined, concentrated and dried in vacuo to afford the title compound (0.063 g, 0.14 mmol, 17% yield) as a white solid. 1H NMR (500 MHz, DICHLOROMETHANE-d2) δ 8.69-8.60 (m, 1H), 8.31-8.19 (m, 2H), 7.69-7.60 (m, 1H), 3.99 (s, 3H), 2.70-2.61 (m, 6H), 2.24 (br d, J=8.3 Hz, 6H). MS (ESI) 439 (M+H).

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1 Location in patent: Paragraph 0526-0527

37
[ 80745-61-5 ]
4-amino-3-(aminomethyl)benzoic acid methyl ester hydrochloride [ No CAS ]
methyl 4-amino-3-((4-iodobicyclo[2.2.2]octane-1-carboxamido)methyl)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
95%	Stage #1: 4-iodobicyclo<2.2.2>octane-1-carboxylic acid With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate In acetonitrile for 0.5h; Stage #2: 4-amino-3-(aminomethyl)benzoic acid methyl ester hydrochloride With N-ethyl-N,N-diisopropylamine In acetonitrile for 2h; Inert atmosphere;	24.A Step A. Intermediate 24A. Preparation of methyl 4-amino-3-((4-iodobicyclo[2.2.2]octane-1-carboxamido)methyl)benzoate To a 50 mL round bottomed flask were added Intermediate 4B (0.19 g, 0.69 mmol), MeCN (7 mL) and HBTU (0.31 g, 0.83 mmol). After stirring for 30 min, a solution of methyl 4-amino-3-(aminomethyl)benzoate dihydrochloride (0.26 g, 0.69 mmol) (Pascal, R. et al. Eur. J. Org. Chem. 2000, 22, 3755-3761) and DIEA (0.48 mL, 2.8 mmol) dissolved in MeCN (3 mL) was added and the reaction was stirred under N2. After 2 h, the solvent was concentrated and the crude product was purified by flash column chromatography (40 g silica gel cartridge; A=Hex, B=EtOAc; 20 min grad.; 0% B to 100% B; flow rate=40 mL/min). The pure fractions were combined, concentrated and dried in vacuo to afford the title compound (0.29 g, 0.66 mmol, 95% yield) as a pale yellow solid. 1H NMR (400 MHz, CHLOROFORM-d) δ 7.81-7.77 (m, 1H), 7.76-7.73 (m, 1H), 6.63-6.56 (m, 1H), 5.85-5.73 (m, 1H), 4.94-4.84 (m, 2H), 3.87 (s, 3H), 2.53-2.45 (m, 6H), 1.95-1.86 (m, 6H). MS (ESI) 443 (M+H).

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1 Location in patent: Paragraph 0559-0560

38
[ 18720-35-9 ]
[ 80745-61-5 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: lead(IV) tetraacetate; iodine / chlorobenzene / 2.5 h / 80 °C / Inert atmosphere; Irradiation 2: sodium hydroxide; water / tetrahydrofuran / 18 h

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1

39
[ 94994-00-0 ]
[ 80745-61-5 ]

Yield	Reaction Conditions	Operation in experiment
98%	With water; sodium hydroxide In tetrahydrofuran for 18h;	4.B Step B. Intermediate 4B. Preparation of 4-iodobicyclo[2.2.2]octane-1-carboxylic acid To a 100 mL pear shaped flask were added Intermediate 4A (1.3 g, 4.4 mmol), 1 M NaOH (aq.) (31 mL, 31 mmol), and THF (30 mL). After stirring 18 h, the reaction was diluted with 5% citric acid (aq.) (150 mL) and extracted with EtOAc (2*75 mL). The organic phase was combined, washed with brine, dried over Na2SO4, filtered and concentrated. The product was dried in vacuo to afford the title compound (1.2 g, 4.28 mmol, 98% yield) as a white solid. 1H NMR (500 MHz, METHANOL-d4) δ 2.57-2.34 (m, 6H), 2.10-1.86 (m, 6H).

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1 Location in patent: Paragraph 0438-0439

40
[ 80745-61-5 ]
C₃₃H₃₂F₃N₃O₇ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: 1,1'-carbonyldiimidazole / dichloromethane / 0.25 h 1.2: 18 h / Inert atmosphere 1.3: 5 h / Reflux 2.1: silver trifluoromethanesulfonate; 2,6-di-tert-butyl-pyridine / 18 h / 80 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1

41
[ 80745-61-5 ]
C₃₄H₃₄F₄N₂O₅S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: pyridine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / 1,2-dichloro-ethane; ethyl acetate / 5 h / 80 °C / Inert atmosphere 2: silver trifluoromethanesulfonate; 2,6-di-tert-butyl-pyridine / 18 h / 80 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1

42
[ 80745-61-5 ]
methyl 3-(3-(4-iodobicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazol-5-yl)benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: triethylamine; chloroformic acid ethyl ester / tetrahydrofuran / 1 h / -30 °C 1.2: 0.83 h / -20 °C 1.3: 2 h / 0 °C 2.1: hydroxylamine hydrochloride; triethylamine / methanol / 18 h / Reflux 3.1: 1,1'-carbonyldiimidazole / dichloromethane / 30 h 3.2: Inert atmosphere 3.3: 2 h / Reflux

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1

43
[ 80745-61-5 ]
2-(4-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)bicyclo[2.2.2]octan-1-yl)-4-fluorobenzo[d]thiazole-6-carboxylic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: pyridine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / 1,2-dichloro-ethane; ethyl acetate / 5 h / 80 °C / Inert atmosphere 2: silver trifluoromethanesulfonate; 2,6-di-tert-butyl-pyridine / 18 h / 80 °C / Inert atmosphere 3: methanol; potassium hydroxide / tetrahydrofuran / 2 h

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1

44
[ 80745-61-5 ]
ethyl 2-(4-iodobicyclo[2.2.2]octan-1-yl)-1H-benzo[d]imidazole-5-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 18 h 2: acetic acid / 18 h / 115 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1

45
[ 80745-61-5 ]
(Z)-N'-hydroxy-4-iodobicyclo[2.2.2]octane-1-carboximidamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: triethylamine; chloroformic acid ethyl ester / tetrahydrofuran / 1 h / -30 °C 1.2: 0.83 h / -20 °C 1.3: 2 h / 0 °C 2.1: hydroxylamine hydrochloride; triethylamine / methanol / 18 h / Reflux

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1

46
[ 80745-61-5 ]
methyl 2-(4-iodobicyclo[2.2.2]octan-1-yl)-3,4-dihydroquinazoline-6-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / acetonitrile / 0.5 h 1.2: 2 h / Inert atmosphere 2.1: acetic acid / 18 h / Reflux

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1

47
[ 80745-61-5 ]
methyl 2-(4-iodobicyclo[2.2.2]octan-1-yl)quinazoline-6-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / acetonitrile / 0.5 h 1.2: 2 h / Inert atmosphere 2.1: acetic acid / 18 h / Reflux 3.1: 2,3-dicyano-5,6-dichloro-p-benzoquinone / tetrahydrofuran / 0.42 h / Inert atmosphere

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1

48
[ 80745-61-5 ]
5-(5-(4-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)bicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazol-3-yl)-2-methoxybenzoic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: 1,1'-carbonyldiimidazole / dichloromethane / 0.25 h 1.2: 18 h / Inert atmosphere 1.3: 5 h / Reflux 2.1: silver trifluoromethanesulfonate; 2,6-di-tert-butyl-pyridine / 18 h / 80 °C / Inert atmosphere 3.1: sodium hydroxide; water / tetrahydrofuran / 1 h / 45 °C

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1

49
methyl (Z)-5-(N'-hydroxycarbamimidoyl)-2-methoxybenzoate [ No CAS ]
[ 80745-61-5 ]
methyl 5-(5-(4-iodobicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazol-3-yl)-2-methoxybenzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
85%	Stage #1: 4-iodobicyclo<2.2.2>octane-1-carboxylic acid With 1,1'-carbonyldiimidazole In dichloromethane for 0.25h; Stage #2: methyl (Z)-5-(N'-hydroxycarbamimidoyl)-2-methoxybenzoate In dichloromethane for 18h; Inert atmosphere; Stage #3: In toluene for 5h; Reflux;	4.D.1; 4.D.2 Step D. Intermediate 4D. Preparation of methyl 5-(5-(4-iodobicyclo[2.2.2]octan-1-yl)-1,2,4-oxadiazol-3-yl)-2-methoxybenzoate Step 1: To a 100 mL pear shaped flask were added Intermediate 4B (0.21 g, 0.75 mmol) and DCM (3 mL). To this mixture was added CDI (0.18 g, 1.1 mmol) in one portion, upon which gas evolution was observed. After stirring 15 min, Intermediate 4C (0.25 g, 1.1 mmol) was added and the reaction was stirred under N2 for 18 h. Step 2: The solvent was concentrated and the residue was dissolved in toluene (5 mL) and stirred at reflux. After 5 h, the reaction was cooled and the solvent was concentrated. The residue was dissolved in EtOAc (50 mL), washed with brine, dried over Na2SO4, filtered and concentrated. The crude product was purified by flash column chromatography (24 g silica gel cartridge; A=Hex, B=EtOAc; 15 min grad.; 0% B to 20% B; flow rate=24 mL/min). The pure fractions were combined, concentrated and dried in vacuo to afford the title compound (0.30 g, 0.64 mmol, 85% yield) as a white solid. 1H NMR (500 MHz, CHLOROFORM-d) δ 8.64-8.47 (m, 1H), 8.35-8.14 (m, 1H), 7.44-7.23 (m, 1H), 7.21-7.01 (m, 1H), 3.99 (s, 3H), 3.94 (s, 3H), 2.79-2.57 (m, 6H), 2.36-2.16 (m, 6H). MS (ESI) 469 (M+H).

Reference： [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - US2019/127358, 2019, A1 Location in patent: Paragraph 0442-0444

50
[ 80745-61-5 ]
N-{4-[(Z)-N-(3-bromo-4-fluorophenyl)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl}-4-iodobicyclo[2.2.2]octane-1-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: thionyl chloride / 2 h / 50 °C 2: sodium carbonate / acetone / 5 h / 20 °C

Reference： [1]Current Patent Assignee: LUNAN PHARMACEUTICAL GROUP CO LTD - CN112062732, 2020, A

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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
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Code	Phrase
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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.
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P263	Avoid contact during pregnancy/while nursing.
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P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
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P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
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P284	Wear respiratory protection.
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Response
Code	Phrase
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P304	IF INHALED:
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P320
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P321
P322
P330	Rinse mouth.
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P337	If eye irritation persists:
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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.
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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:
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P401
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Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	{[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

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. 80745-61-5 ]

Quality Control of [ 80745-61-5 ]

Related Doc. of [ 80745-61-5 ]

Product Details of [ 80745-61-5 ]

Safety of [ 80745-61-5 ]

Application In Synthesis of [ 80745-61-5 ]

[ 80745-61-5 ] Synthesis Path-Downstream 1~50

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