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. :	94213-23-7
Formula :	C₉H₇Cl₂N₅
M.W :	256.09
SMILES Code :	N#C/C(C1=CC=CC(Cl)=C1Cl)=N\N=C(N)N
English Name :	Lamotrigine impurity c
MDL No. :	MFCD09029441

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Yield	Reaction Conditions	Operation in experiment
82%	With methanesulfonic acid at 45℃; for 5h; Heating / reflux;	1 EXAMPLES OF SYNTHESIS Example 1 : 2-(2, 3-DICHLOROPHENYL)-2-(AMINOGUANIDINE)- acetonitrile 400 g (2 moles) of 2,3-dichlorobenzoyl cyanide are added to a mixture prepared from 333.6 g (2.45 moles) of aminoguanidine bicarbonate in 800 mL of methanesulphonic acid. The mixture is then heated at 45°C for 5 hours, cooled to 10°C and 2.4 L of water is added slowly, controlling exothermy at 20-30°C. The mixture is then adjusted to pH 11 with a 50% NAOH solution, filtered, the solid washed with water and dried at 45°C to yield 419.8 g (82%) of the product of the title. NMR 1H (DMSO), δ (ppm): 6. 5- 6. 9 (s, 4H,-N=C (NH2) 2), 7.4 (t, 1H, ARH), 7. 6 (d, 2H, ArH). M. p. = 180-183°C.
79%	With methanesulfonic acid In toluene at 45℃; for 10h; Heating / reflux;	2 Example 2: 2- (2, 3-DICHLOROPHENYL)-2- (AMINOGUANIDINE)- acetonitrile To a mixture prepared from 4.2 g (0.031 moles) of aminoguanidine bicarbonate in 10 mL of methanesulphonic acid is added a solution of 5 G (0.025 moles) 2,3- dichlorobenzoyl cyanide in 5 mL of toluene. The mixture is heated at 45°C for 10 hours, cooled to 10°C and 30 mL of water added slowly, controlling exothermy at 20-30°C. The mixture is then adjusted to pH 11 with a 40% NaOH solution, filtered, the solid washed with water and dried at 45°C to yield 5.05 g (79 %) of the product of the title.
76.8%	Stage #1: aminoguanidine bicarbonate With sulfuric acid In water at 25℃; for 0.5h; Stage #2: 2,3-dichlorobenzoyl cyanide In water at 60℃; for 6h; Stage #3: With sodium hydroxide; water at 25 - 60℃; for 1h;	8; 9 Example 8: Synthesis of2-(2,3-dichlorophenyl)-2-(suanidinylamino)acetonitrile; A 3L reactor was loaded with 982 g of water. To the reactor was added 1808 g of H2SO4 keeping temperature below 90 0C. The solution was cooled down to 25 0C. To the reactor was added 272.1 g of aminoguanidine bicarbonate (2.0 moles) in small portions to control CO2 evolution. The mixture was stirred for 30 minutes. Then 200.0 g of 2,3-dichlorobenzoyl cyanide (1.0 mole) was added to the aminoguanidine solution. The mixture was heated gently to 60 0C and stirred for 6 hours at 60 0C. The mixture was cooled down to 20 0C and 982 g of water was slowly added keeping temperature below 24 0C. Addition time was 30 min. The precipitate was filtered and washed three times with 500 g portions of water.A 3 L reactor was loaded with 840 g of water and 45 g of NaOH. The content was stirred at 25 0C. To the flask was added portionwise the wet crude filtered cake. The suspension was heated to 60 0C, stirred for 1 hour at 60 0C and filtered while warm. The precipitate was washed three times with 400 g portions of water. The wet cake (496.0 g) was dried at 70 0C and P < 50 mbar, giving 198.2 g of 2-(2,3-dichlorophenyl)-2-(guanidinylamino)acetonitrile with HPLC assay of 99.2 %. Yield was 76.8 %.; Example 9: Synthesis of2-(2,3-dichlorophenyl)-2-(suanidinylamino)acetonitrile; A 3L reactor was loaded with 982 g of water. To the reactor was added 1808 g of H2SO4 keeping temperature below 90 0C. The solution was cooled down to 25 0C. To the reactor was added 408.4 g of aminoguanidine bicarbonate (3.0 moles) in small portions to control CO2 evolution. The mixture was stirred for 30 minutes. Then 200.0 g of 2,3-dichlorobenzoyl cyanide (1.0 mole) was added to the aminoguanidine solution. The mixture was heated gently to 60 0C and stirred for 6 hours at 60 0C. The mixture was cooled down to 20 0C and 982 g of water was slowly added keeping temperature below 24 0C. Addition time was 30 min. The precipitate was filtered and washed three times with 500 g portions of water.A 3 L reactor was loaded with 840 g of water and 40 g of NaOH. The content was stirred at 25 0C. To the flask was added portionwise the wet crude filtered cake. The suspension was heated to 60 0C, stirred for 1 hour at 60 0C and filtered while warm. The precipitate was washed three times with 400 g portions of water. The wet cake was dried at 70 0C and P < 50 mbar, giving 221.8 g of 2-(2,3-dichlorophenyl)-2-(guanidinylamino)acetonitrile with HPLC assay of 98.9 %. Yield was 85.6 %.

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CAS No.: 94213-23-7

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CAS No.: 94213-23-7

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[ 94213-23-7 ] Synthesis Path-Downstream 1~1

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Physical hazards
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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
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H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed