1046864-84-9|Di-tert-butyl 3,6-bis(5-bromothiophen-2-yl)-1,4-dioxopyrrolo[3,4-c]pyrrole-2,5(1H,4H)-dicarboxylate| Ambeed

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CAS No. :	1046864-84-9
Formula :	C₂₄H₂₂Br₂N₂O₆S₂
M.W :	658.38
SMILES Code :	O=C(N1C(C(C2=C1C3=CC=C(Br)S3)=C(C4=CC=C(Br)S4)N(C(OC(C)(C)C)=O)C2=O)=O)OC(C)(C)C
MDL No. :	N/A
InChI Key :	QOZQIPYHXMJDFH-UHFFFAOYSA-N
Pubchem ID :	59629053

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H315-H319
Precautionary Statements:	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Yield	Reaction Conditions	Operation in experiment
50%	With N-Bromosuccinimide; at 20.0℃; for 40h;Darkness;	T-Boc TPP (2.36 g, 4.71 mmol) was added to CF in a 2-neck round bottom flask and stirred at room temperature.After light protection using an aluminum foil, NBS (2.09 g, 2.5 eq.) Was added and stirred for 40 hours or more.The reaction was monitored by TLC. When the reaction proceeded, the crude mixture was immediately evaporated and the CF / EtOHTo obtain a dark needle-like compound (Yield: 50%).
50%	With N-Bromosuccinimide; at 20.0℃;Darkness;	The t-l3oc TPP (2.36 g, 4.71 mmol) was added to CF in a 2-neck round bottom flask, and the mixture was stirred at room temperature. Light protection was performed by using an aluminum foil, and then N135 (2.09 g, 2.5 eq.) was added thereto and the mixture was stirred for 40 hours or more. It was confirmed through TLC whether the reaction proceeded, and if the reaction proceeded, the crude mixture was immediately evaporated and recrystallization was performed by using CF/EtOH, thereby obtaining 1.6 g (yield:50%) of Compound 2 having a dark brown needle shape. The NMR result of Compound 2 is illustrated in the following FIG. 4, and the MS data thereof are illustrated in the following FIG. 5.
	With N-Bromosuccinimide; In chloroform; for 12h;Darkness;	3.0 g (6.0 mmol) of the compound represented by the chemical formula (1-1), 2.5 g (13.8 mmol) of N-bromosuccinimide and 200 mL of chloroform were placed in a 500 mL eggplant flask and shielded from light C for 12 hours. Next, after distilling off the solvent under reduced pressure, 100 mL of MeOH was added. Further, the precipitate was collected by filtration to obtain 3.1 g (yield: 78.8%) of a compound represented by the chemical formula (1-4) which is a dark green powder. The compound represented by the chemical formula (1-4) had m / z of 658.9, 656.9, and 660.9 ([M+H] +)

Precautionary Statements-General
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P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
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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.
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P285	In case of inadequate ventilation wear respiratory protection.
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Response
Code	Phrase
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P322
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P378
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P391	Collect spillage. Hazardous to the aquatic environment
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P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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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.
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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
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P401
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P402 + P404	Store in a dry place. Store in a closed container.
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P411 + P235	Keep cool.
Disposal
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P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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CAS No.: 1046864-84-9

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CAS No.: 1046864-84-9

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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