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| CAS No.: | 3140-73-6 |
|---|---|
| Name: | 2-Chloro-4,6-dimethoxy-1,3,5-triazine |
| Molecular Structure: | |
|
|
|
| Formula: | C5H6ClN3O2 |
| Molecular Weight: | 175.575 |
| Synonyms: | s-Triazine,2-chloro-4,6-dimethoxy- (6CI,7CI,8CI);2,4-Dimethoxy-6-chloro-1,3,5-triazine;2,4-Dimethoxy-6-chloro-s-triazine;2-Chloro-4,6-dimethoxy-s-triazine;4,6-Dimethoxy-2-chloro-s-triazine;6-Chloro-2,4-dimethoxy-s-triazine; |
| EINECS: | 221-541-0 |
| Density: | 1.36 g/cm3 |
| Melting Point: | 71-74 °C(lit.) |
| Boiling Point: | 305.1 °C at 760 mmHg |
| Flash Point: | 138.3 °C |
| Solubility: | insoluble in water |
| Appearance: | white to almost white crystalline powder |
| Hazard Symbols: |
Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37 |
| PSA: | 57.13000 |
| LogP: | 0.54220 |

methanol


1,3,5-trichloro-2,4,6-triazine


2-chloro-4,6-dimethoxy-1 ,3,5-triazine

| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate at 25 - 50℃; for 4h; | 96% |
| With sodium hydrogencarbonate In water at 100℃; for 36h; Large scale; | 89.5% |
| With sodium hydrogencarbonate at 0 - 50℃; for 4h; | 86% |

| Conditions | Yield |
|---|---|
| With N,N-diethylaniline; trichlorophosphate for 3h; Heating; | 90% |
| With N,N-diethylaniline; trichlorophosphate for 3h; Reflux; |

| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In methanol; water | 89.2% |
| With potassium hydrogencarbonate In methanol; water | 88.3% |
| With potassium hydrogencarbonate In methanol; water; ethyl acetate | 87.5% |

1,3,5-trichloro-2,4,6-triazine


sodium methylate

A

2,4-Dichloro-6-methoxy-1,3,5-triazine

B

2-chloro-4,6-dimethoxy-1 ,3,5-triazine

| Conditions | Yield |
|---|---|
| In methanol; toluene at 0℃; for 2h; Substitution; | A 10% B 82% |


N-methyl-acetamide


2,4-Dichloro-6-methoxy-1,3,5-triazine

A

2-chloro-4,6-dimethoxy-1 ,3,5-triazine

| Conditions | Yield |
|---|---|
| Stage #1: N-methyl-acetamide With sodium hydride In tetrahydrofuran at 0 - 50℃; for 0.75h; Stage #2: 2,4-Dichloro-6-methoxy-1,3,5-triazine In tetrahydrofuran at 0℃; for 2h; | A 31% B 28% C 4% |


methanol


2,4-Dichloro-6-methoxy-1,3,5-triazine


2-chloro-4,6-dimethoxy-1 ,3,5-triazine

| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate |

methanol


1,3,5-trichloro-2,4,6-triazine

A

2-chloro-4,6-dimethoxy-1 ,3,5-triazine

B

2,4,6-trimethoxy-1,3,5-triazine

| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In water; water-d2 at 40℃; Product distribution; influence of reaction conditions (base amount and temperature) on the yield of the products; |


1,3,5-trichloro-2,4,6-triazine


sodium methylate


2-chloro-4,6-dimethoxy-1 ,3,5-triazine

| Conditions | Yield |
|---|---|
| at -30℃; Substitution; |

methanol


1,3,5-trichloro-2,4,6-triazine


2-chloro-4,6-dimethoxy-1 ,3,5-triazine


2-(4-methoxybenzoyloxy)-4,6-dimethoxy-1,3,5-triazine


2-chloro-4,6-dimethoxy-1 ,3,5-triazine

| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: palladium diacetate / acetonitrile / 10 h / 50 °C / Inert atmosphere 2: N,N-diethylaniline; trichlorophosphate / 3 h / Reflux View Scheme |
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IUPAC Name: 2-Chloro-4,6-dimethoxy-1,3,5-triazine
Synonyms of 1,3,5-Triazine,2-chloro-4,6-dimethoxy- (CAS NO.3140-73-6): 2-Chloro-4,6-dimethoxy-1,3,5-triazine
CAS NO: 3140-73-6
Molecular Formula: C5H6ClN3O2
Molecular Weight: 175.573
Molecular Structure: 
EINECS: 221-541-0
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 57.13 Å2
Index of Refraction: 1.512
Molar Refractivity: 38.77 cm3
Molar Volume: 129 cm3
Surface Tension: 47.5 dyne/cm
Density: 1.36 g/cm3
Flash Point: 138.3 °C
Enthalpy of Vaporization: 52.37 kJ/mol
Boiling Point: 305.1 °C at 760 mmHg
Vapour Pressure: 0.00152 mmHg at 25°C
Melting Point: 71-74 °C(lit.)
Water Solubility: insoluble.
Appearance: white to almost white crystalline powder
Product Categories of 1,3,5-Triazine,2-chloro-4,6-dimethoxy- (CAS NO.3140-73-6): Starting Raw Materials & Intermediates;Miscellaneous;Biochemistry;Coupling Reactions (Peptide Synthesis);Peptide Synthesis;Halogenated Heterocycles;Heterocyclic Building Blocks;Triazines;TriazinesBuilding Blocks
Hazard Codes:
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37: Wear suitable protective clothing and gloves.
WGK Germany: 3
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store 1,3,5-Triazine,2-chloro-4,6-dimethoxy- (CAS NO.3140-73-6) in a cool, dry place. Store in a tightly closed container.