Type	HazMat fee for 500 gram (Estimated)
Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

CAS No. :	1374635-87-6
Formula :	C₁₆H₂₄BrClN₄O₂
M.W :	419.74
SMILES Code :	O=C(OC(C)(C)C)NCC1(NC2=NC(Cl)=NC=C2Br)CCCCC1
English Name :	tert-Butyl ((1-((5-bromo-2-chloropyrimidin-4-yl)amino)cyclohexyl)methyl)carbamate
MDL No. :	MFCD34646040

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Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1.1: tetrabutyl ammonium fluoride / 2-methyltetrahydrofuran / Inert atmosphere 1.2: 50 - 55 °C / Inert atmosphere 2.1: tetrabutyl ammonium fluoride / 2-methyltetrahydrofuran / 70 - 78 °C 3.1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene / ethyl acetate; water / 10 - 30 °C 4.1: potassium carbonate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl / toluene / 25 - 95 °C / Inert atmosphere 5.1: hydrogenchloride / water; methanol / 20 - 60 °C
	Multi-step reaction with 6 steps 1.1: tetrabutyl ammonium fluoride / 2-methyltetrahydrofuran / Inert atmosphere 1.2: 50 - 55 °C / Inert atmosphere 2.1: tetrabutyl ammonium fluoride / 2-methyltetrahydrofuran / 70 - 78 °C 3.1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene / ethyl acetate; water / 10 - 30 °C 4.1: potassium carbonate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl / toluene / 25 - 95 °C / Inert atmosphere 5.1: sulfuric acid / water / 20 - 60 °C 6.1: hydrogenchloride / water; methanol / 20 - 55 °C

Yield	Reaction Conditions	Operation in experiment
77.6%	With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 24h; Cooling with ice;	6.1 Step 1: tert-Butyl (1-(5-bromo-2-chloropyrimidin-4-ylamino)cyclohexyl)methyl)carbamate-5-bromo-2,4-dichloropyrimidine The compound 2,4-dichloro-5-bromo-pyrimidine (1.12 g, 4.92 mmol) was weighed into a 100 mL single-necked flask, and dichloromethane (15 mL) was added to dissolve it. N,N-diisopropylethylamine (1.91 g, 14.75 mmol) was slowly added while stirring. Tert-butyl (1-aminocyclohexyl)methyl)carbamate (0.93 g, 4.10 mmol) was weighed and slowly added to the single-necked flask under ice bath conditions. After completion, the reaction was carried out at room temperature for 24 h. TLC was used to track the reaction of the raw materials. After the reaction was completed, the product was extracted with water three times, and the organic phase was collected. The organic phase was washed with saturated brine, dried over anhydrous sodium sulfate, and concentrated under reduced pressure to remove the solvent. The corresponding pale white solid compound 1.32 g was separated and purified by rapid silica gel column chromatography (petroleum ether: ethyl acetate = 10: 1) to obtain 77.6% yield.
75 %	With potassium carbonate In 2-methyltetrahydrofuran; water at 20 - 65℃;	1 Example 1. Preparation of the intermediate (IV) 100 g of the compound of formula (II) , 120 g of the compound of formula (III) wherein the PG protecting group is Boc (tert-butyloxycarbonyl) , 90 g of K2CO3, 350 mL of demineralized water and 200 mL of Me-THF (methyltetrahydrofuran) were loaded at room temperature. The reaction mixture was heated to 60-65 °C and the reaction was left to continue until complete. When the reaction was complete, the reaction mixture was cooled to room temperature and 800 mL of Me-THF was subsequently added .The organic phase was recovered, 500 mL of water was added to the latter and the mixture was brought to pH 4.8 with acetic acid.The organic phase was recovered, to which a K2CO3 aqueous solution was added until a pH of 7.5. The organic phase was recovered and 500 mL of water was added to the same. The organic phase was recovered again and the solvent was changed to tert-butanol. The product was then crystallized by adding water, which acts as an antisolvent .A product of formula (IV) was obtained with a purity of about 95% and a molar yield of about 75%.

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CAS No.: 1374635-87-6

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CAS No.: 1374635-87-6

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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
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.
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P233	Keep container tightly closed.
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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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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.
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P320
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P321
P322
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P342	If experiencing respiratory symptoms:
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P378
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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