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1668-54-8

1668-54-8 Structure

1668-54-8 Structure
IdentificationMore
[Name]

2-Amino-4-methoxy-6-methyl-1,3,5-triazine
[CAS]

1668-54-8
[Synonyms]

2-AMINO-4-METHOXY-6-METHYL-1,3,5-TRIAZINE
2-AMINO-4-METHOXY-6-METHYL-S-TRIAZINE
2-AMINO-4-METHYL-6-METHOXY-1,3,5-TRIAZINE
4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YLAMINE
TIMTEC-BB SBB004163
2-amino-4-methoxy-6-methyl-s-triazin
2-methyl-4-amino-6-methoxy-s-triazine
5-triazin-2-amine,4-methoxy-6-methyl-3
cv399
2-AMINO-4-METHOXY-6-METHYL-1,3,5-TRIAZIN
2-Amino-4-methyl-6-methoxy-s-triazine
4-Methoxy-6-methyl-1,3,5-triazin-2-amine
CGA-150829
2-Methoxy-4-methyl-1,3,5-triazine-6-amine
4-Methyl-6-methoxy-1,3,5-triazine-2-amine
4-Methyl-6-methoxy-2-amino-1,3,5-triazine
2-Amino-4-methoxy-6-methyl-1,3,5-trazine
[EINECS(EC#)]

216-790-7
[Molecular Formula]

C5H8N4O
[MDL Number]

MFCD00052764
[Molecular Weight]

140.14
[MOL File]

1668-54-8.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to light yellow powder
[Melting point ]

258-261 °C(lit.)
[Boiling point ]

114℃
[density ]

1.2945 (rough estimate)
[refractive index ]

1.8300 (estimate)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

3.65±0.10(Predicted)
[color ]

White to Light Yellow
[InChI]

InChI=1S/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
[InChIKey]

NXFQWRWXEYTOTK-UHFFFAOYSA-N
[SMILES]

N1=C(C)N=C(OC)N=C1N
[CAS DataBase Reference]

1668-54-8(CAS DataBase Reference)
[EPA Substance Registry System]

1668-54-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

1
[RTECS ]

XY3193000
[TSCA ]

TSCA listed
[HazardClass ]

IRRITANT
[HS Code ]

29336990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

LD50 oral in mouse: 1010mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Acetic anhydride-->Dicyandiamide-->Zinc hydroxide-->new red-->1,3,5-Triazine-->O-Methylisourea hydrochloride-->1,4-Diamino-2,3-dicyano-9,10-anthraquinone-->2-(2-Chloroethoxy)-benzenesulfonamide-->Dimethyl cyanocarbonimidate-->4-Amino-6-methyl-1,3,5-triazin-2-ol-->Triasulfuron-->o-methylisourea
[Preparation Products]

Metsulfuron methyl-->Chlorsulfuron-->Tribenuron methyl-->Prometryn-->Ametryn-->ANILAZINE-->C. I. Pigment Yellow 182-->3-Thiophenesulfonamide(7CI,9CI)-->Methyl benzoate
Hazard InformationBack Directory
[Chemical Properties]

off-white to light yellow powder
[Uses]

2-Amino-4-methoxy-6-methyl-1,3,5-triazine may be used in the synthesis of thifensulfuron.
[Definition]

ChEBI: A monoamino-1,3,5-triazine that is 1,3,5-triazin-2-amine substituted by a methoxy group at position 4 and a methyl group at position 6. It is a metabolite of the herbicide thifensulfuron-methyl.
[General Description]

2-Amino-4-methoxy-6-methyl-1,3,5-triazine is formed during the photocatalytic decomposition of sulfonylurea (Sus) herbicide. It is also formed as a thermal decomposition product of chlorsulfuron (a sulfonylurea herbicide) and has been determined by GC using nitrogen-phosphorus detection (NPD).
[Synthesis]

DIMETHYL CYANOCARBONIMIDATE

24771-25-3

Acetamidine hydrochloride

124-42-5

2-Amino-4-methoxy-6-methyl-1,3,5-triazine

1668-54-8

Example 2: Acetamidine hydrochloride (9.5 g) was added to a solution of methanol (50 mL) and potassium hydroxide particles (6.8 g) pre-cooled to 10°C. Subsequently, dimethyl N-cyanoimido carbonate (11.4 g) was dissolved in 40 mL of methanol and this solution was slowly added dropwise to the above reaction mixture. After the dropwise addition was completed, the reaction mixture was stirred continuously at 25°C for 2 hours. Upon completion of the reaction, the mixture was poured into 40 mL of ice water to quench the reaction. The resulting solid crystals were collected by filtration and washed sequentially with water and methanol. Finally, the product was dried at 70 °C overnight to afford 11.8 g of 2-amino-4-methyl-6-methoxy-1,3,5-triazine in 84% yield.

[References]

[1] Patent: US5070199, 1991, A
Spectrum DetailBack Directory
[Spectrum Detail]

2-Amino-4-methoxy-6-methyl-1,3,5-triazine(1668-54-8)MS
2-Amino-4-methoxy-6-methyl-1,3,5-triazine(1668-54-8)1HNMR
2-Amino-4-methoxy-6-methyl-1,3,5-triazine(1668-54-8)IR1
2-Amino-4-methoxy-6-methyl-1,3,5-triazine(1668-54-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Amino-4-methoxy-6-methyl-1,3,5-triazine, 97%(1668-54-8)
[Sigma Aldrich]

1668-54-8(sigmaaldrich)
[TCI AMERICA]

2-Amino-4-methoxy-6-methyl-1,3,5-triazine,>98.0%(T)(1668-54-8)
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