[ CAS No. 1791-73-7 ]

Name: 6-Methyl-2,4-pyrimidinediamine
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SKU: A377738
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Quality Control of [ 1791-73-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1791-73-7 ]

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Alternatived Products of [ 1791-73-7 ]

Product Details of [ 1791-73-7 ]

CAS No. :	1791-73-7	MDL No. :	MFCD00127861
Formula :	C₅H₈N₄	Boiling Point :	389.5°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	-
M.W :	124.14	Pubchem ID :	229743
Synonyms :

Computed Properties of [ 1791-73-7 ]

TPSA :Topological Polar Surface Area	77.8	H-Bond Acceptor Count :	4
XLogP3 :	-0.1	H-Bond Donor Count :	2
SP3 :	0.20	Rotatable Bond Count :	0

Safety of [ 1791-73-7 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1791-73-7 ]

Upstream synthesis route of [ 1791-73-7 ]
Downstream synthetic route of [ 1791-73-7 ]

[ 1791-73-7 ] Synthesis Path-Upstream 1~8

1
[ 5600-21-5 ]
[ 1791-73-7 ]

Reference： [1] Chemische Berichte, 1901, vol. 34, p. 1242
[2] Journal of Medicinal Chemistry, 2007, vol. 50, # 5, p. 940 - 950
[3] Patent: US5521192, 1996, A,
[4] Patent: US5622954, 1997, A,

2
[ 1118-61-2 ]
[ 50-01-1 ]
[ 1791-73-7 ]

Yield	Reaction Conditions	Operation in experiment
10.5 g	Stage #1: With sodium methylate In methanol at 20℃; for 0.5 h; Stage #2: at 110℃; for 10 h; Inert atmosphere	2,4-Diamino-6-methylpyrimidine was synthesized in accordance with the process described in Aust. J. Chem., 1984, vol. 37, pp. 1195-1201. (0362) Guanidine hydrochloride (23.8 g) was added to methanol (50 mL) and a solution of sodium methoxide in 28percent methanol (51 mL), followed by stirring at room temperature for 30 minutes. Subsequently, the precipitated salt was removed by filtration, followed by concentration under reduced pressure to give a guanidine-free product solution. Then, 3-amino crotononitrile (16.4 g) and 1-butanol (60 mL) were added to the solution. The reaction solution was stirred with heating at 110° C. for 10 hours under a nitrogen gas flow. After completion of the reaction, the precipitated salt was removed by hot filtration, and 100 mL of acetone was added to the remaining solution, followed by stirring under ice cooling for 30 minutes to give a crude product. The crude product was recrystallized from acetone to yield 10.5 g of 2,4-diamino-6-methylpyrimidine. (0363) Methyl benzoate (23 g: 169 mmol) and sodium methoxide (22 g: 407 mmol) were added to a solution of 2,4-diamino-6-methylpyrimidine (10 g: 81 mmol) in N-ethylpyrrolidone (100 mL), followed by stirring with heating at 40° C. for 2 hours. The temperature of the reaction system was decreased to room temperature. The reaction solution was poured into a 1N aqueous hydrochloric acid solution, and the solid component was collected by filtration. The crude product was recrystallized from 2-propanol to yield compound (1-2). (0364) The NMR spectrum of produced compound (1-2) is as follows. (0365) ¹H-NMR (solvent: d6-DMSO, standard: tetramethylsilane) δ (ppm) 2.50 (3H, s) 7.45-7.70 (6H, m) 7.90 (1H, s) 7.95-8.05 (4H, m) 10.88 (1H, s) 11.10 (1H, s)

Reference： [1] Australian Journal of Chemistry, 1984, vol. 37, # 6, p. 1195 - 1201
[2] Patent: US2016/159750, 2016, A1, . Location in patent: Paragraph 0361-0365

3
[ 5600-21-5 ]
[ 1791-73-7 ]

Reference： [1] Patent: US4083841, 1978, A,

4
[ 50-01-1 ]
[ 70807-22-6 ]
[ 1791-73-7 ]

Reference： [1] Organic Process Research and Development, 2013, vol. 17, # 3, p. 427 - 431

5
[ 5424-21-5 ]
[ 1791-73-7 ]

Reference： [1] Chemische Berichte, 1901, vol. 34, p. 1242
[2] Journal of the Chemical Society, 1951, p. 1004,1015[3] Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, vol. 24, p. 84

6
[ 3438-46-8 ]
[ 1791-73-7 ]

Reference： [1] Yakugaku Zasshi, 1939, vol. 59, p. 18,26; dtsch. Ref. S. 97, 103, 104[2] Chem.Abstr., 1939, p. 3791

7
[ 5424-21-5 ]
[ 7664-41-7 ]
[ 1791-73-7 ]

Reference： [1] Chemische Berichte, 1899, vol. 32, p. 2934[2] Chemische Berichte, 1902, vol. 35, p. 1570

8
[ 5600-21-5 ]
[ 7664-41-7 ]
[ 1791-73-7 ]

Reference： [1] Chemische Berichte, 1901, vol. 34, p. 1242

[ 1791-73-7 ] Synthesis Path-Downstream 1~1

1
[ 1791-73-7 ]
[ 189810-94-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; Iodine monochloride; In water; acetic acid;	Step B Synthesis of 2,4-diamino-5-iodo-6-methylpyrimidine as an intermediate A solution of 8.0 grams (0.064 mole) of <strong>[1791-73-7]2,4-diamino-6-methylpyrimidine</strong> in 30 mL of glacial acetic acid is stirred, and a solution of 13.5 grams (0.083 mole) of iodine monochloride in 20 mL of glacial acetic acid is added dropwise during a 5 minute period. Upon completion of addition, the reaction mixture is stirred at ambient temperature for about 18 hours. After this time the reaction mixture is diluted with 100 mL of water and then is made basic with 10% aqueous sodium hydroxide. The mixture is then extracted with three 75 mL portions of ethyl acetate. The combined extracts are washed with one 75 mL portion of an aqueous solution saturated with sodium chloride. The organic layer is dried with sodium sulfate and filtered. The filtrate is concentrated under reduced pressure, yielding 11.7 grams of 2,4-diamino-5-iodo-6-methylpyrimidine. The NMR spectrum is consistent with the proposed structure.

Reference： [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 940 - 950
[2]Patent: US5622954,1997,A

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Response
Code	Phrase
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P321
P322
P330	Rinse mouth.
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P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
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P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
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P378
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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.
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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.
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P401
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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
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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
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H252	Self-heating in large quantities; may catch fire
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H261	In contact with water releases flammable gas
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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
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
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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. 1791-73-7 ]

Quality Control of [ 1791-73-7 ]

Related Doc. of [ 1791-73-7 ]

Product Details of [ 1791-73-7 ]

Computed Properties of [ 1791-73-7 ]

Safety of [ 1791-73-7 ]

Application In Synthesis of [ 1791-73-7 ]

[ 1791-73-7 ] Synthesis Path-Upstream 1~8

[ 1791-73-7 ] Synthesis Path-Downstream 1~1

Related Functional Groups of [ 1791-73-7 ]

Amines

Related Parent Nucleus of [ 1791-73-7 ]

Aromatic Heterocycles

Pyrimidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 1791-73-7 ]

Related Parent Nucleus of
[ 1791-73-7 ]