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89392-03-0

89392-03-0 Structure

89392-03-0 Structure
IdentificationMore
[Name]

4,6-Dimethoxy-2-(phenoxycarbonyl)aminopyrimidine
[CAS]

89392-03-0
[Synonyms]

2-((PHENOXYCARBONYL)AMINO)-4,6-DIMETHOXYPYRIMIDINE
4,6-Dimethoxy-2-(phenoxycarbonyl)aminopyrimidine
PHENYL-4,6-DIMETHOXY-2-PYRIMIDYLAMINO FORMATE
4,6-dimethoxy-N-phenyl-2-pyrimidinamine
(4,6-DIMETHOXY-PYRIMIDIN-2-YL)-CARBAMIC ACID PHENYL ESTER
Phenyl(4,6-dimethoxy-2-pyrimidinyl)carbamate
PHENYL-4,6-DIMETHOXY-2-PYERIMIDYLAMINO FORMATE
phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
Carbamic acid, (4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester
[EINECS(EC#)]

406-600-2
[Molecular Formula]

C13H13N3O4
[MDL Number]

MFCD02947731
[Molecular Weight]

275.26
[MOL File]

89392-03-0.mol
Chemical PropertiesBack Directory
[Appearance]

Crystalline Powder
[Melting point ]

118.0 to 122.0 °C
[Boiling point ]

250℃[at 101 325 Pa]
[density ]

1.317±0.06 g/cm3(Predicted)
[vapor pressure ]

0.02Pa at 20℃
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

9.49±0.70(Predicted)
[color ]

White to Orange to Green
[Water Solubility ]

61mg/L at 20℃
[Usage]

Intermediate for the production of Sulfonyl Urea herbicides. Product Data Sheet
[LogP]

2.1 at 25℃
[CAS DataBase Reference]

89392-03-0(CAS DataBase Reference)
[EPA Substance Registry System]

Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester (89392-03-0)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H317-H411
[Precautionary statements ]

P501-P261-P273-P272-P280-P302+P352-P391-P362+P364-P333+P313
[Hazard Codes ]

Xi,N
[Risk Statements ]

R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S24:Avoid contact with skin .
S37:Wear suitable gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG III
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

2933599590
Hazard InformationBack Directory
[Chemical Properties]

Crystalline Powder
[Uses]

Intermediate for the production of Sulfonyl Urea herbicides. Product Data Sheet
[Flammability and Explosibility]

Nonflammable
[Synthesis]

2-Amino-4,6-dimethoxypyrimidine

36315-01-2

Phenyl chloroformate

1885-14-9

4,6-Dimethoxy-2-(phenoxycarbonyl)aminopyrimidine

89392-03-0

To a stirred solution of 2-amino-4,6-dimethoxypyrimidine (1 g, 6.45 mmol) in acetonitrile (10 mL) was added triethylamine (0.85 g, 8.40 mmol) at room temperature, followed by the slow dropwise addition of phenyl chloroformate (1.31 g, 8.37 mmol). The reaction mixture was heated to 60 °C and stirred for 6 hours. After completion of the reaction, the mixture was cooled to room temperature, diluted with water (6 mL), the precipitated solid was collected by filtration and dried under vacuum to afford 2-((phenoxycarbonyl)aminomethyl)-4,6-dimethoxypyrimidine (Compound 6) as a white solid in the following yields: 1.48 g, 83%; melting point: 119 °C; 1H NMR (400 MHz, DMSO-d6): δ 7.65 (s 1H), 7.42-7.40 (m, 2H), 7.18-7.14 (m, 3H), 5.80 (s, 1H), 3.96 (s, 6H); ESI-MS: m/z, 276.1 (M + 1).

[References]

[1] Asian Journal of Chemistry, 2017, vol. 29, # 7, p. 1477 - 1481
Spectrum DetailBack Directory
[Spectrum Detail]

4,6-Dimethoxy-2-(phenoxycarbonyl)aminopyrimidine(89392-03-0)1HNMR
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