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3945-69-5

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Basic Information
CAS No.: 3945-69-5
Name: 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methyl morpholinium chloride
Article Data: 36
Molecular Structure:
Molecular Structure of 3945-69-5 (4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methyl morpholinium chloride)
Formula: C10H17 N4 O3 . Cl
Molecular Weight: 276.723
Synonyms: 4-(4,6-Dimethoxy-s-triazin-2-yl)-4-methylmorpholiniumchloride (7CI);Morpholinium, 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methyl-,chloride (9CI);Morpholinium, 4-(4,6-dimethoxy-s-triazin-2-yl)-4-methyl-,chloride (8CI);4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholiniumchloride;DMTMM;
EINECS: 447-230-1
Density: g/cm3
Melting Point: 118-120 ºC
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility: Soluble in water, Methanol.
Appearance: white powder
Hazard Symbols:
Risk Codes: R20/21/22;R34;R40   
Safety: S26;S36/37/39;S45
Transport Information: UN 3261
PSA: 75.59000
LogP: -3.10440
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Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 0.5h; Alkylation;100%
In tetrahydrofuran at 20℃; for 0.5h; Substitution;100%
In tetrahydrofuran at 0℃; for 0.5h;100%
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4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride

Conditions
ConditionsYield
With 4-methyl-morpholine In tetrahydrofuran; methanol97.4%
With 4-methyl-morpholine In tetrahydrofuran; methanol96.9%
With 4-methyl-morpholine In ethyl acetate94.6%
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4-methyl-morpholine

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

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B

3945-69-5

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride

Conditions
ConditionsYield
In dichloromethane at 20℃; for 17h; Substitution;A 95%
B 2%
In dichloromethane at 20℃; for 0.5h; Substitution;A 21%
B 78%
...Expand
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4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride

Conditions
ConditionsYield
In [D3]acetonitrile for 1h;
...Expand
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4-methyl-morpholine

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methanol

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4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride

Conditions
ConditionsYield
at 0 - 20℃; for 0.00416667h;
...Expand
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2-Methylbutanoic acid

3945-69-5

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride

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Conditions
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4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride

pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-(4,6-dimethoxy-[1,3,5]triazin-2-yl) ester

Conditions
ConditionsYield
In 1,2-dimethoxyethane at 0℃; for 3h; Condensation;100%
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In 1,2-dimethoxyethane at 0℃; for 3h; Condensation;100%
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Conditions
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Conditions
ConditionsYield
In 1,2-dimethoxyethane at 0℃; for 3h; Condensation;100%
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Chemistry

Systematic Name: 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium chloride
Synonyms of Morpholinium,4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methyl-, chloride (1:1) (CAS NO.3945-69-5): DMTMM ; 4-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-4-methylmorpholin-4-ium chloride ; 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4
-methylmorpholinium Chloride ; Morpholinium, 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methyl- ; Morpholinium, 4-(4,6-dimethoxy-1,3,5-triazin
-2-yl)-4-methyl-, chloride (1:1)
Molecular Structure:
Molecular Formula: C10H17ClN4O3
Molecular Weight: 276.72
CAS NO: 3945-69-5
H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 66.36 Å2
Melting point: 110-114 °C
Flash Point: 92.5 °C
Storage temp: -20°C
Appearance: White powder or chunks
Product Categories of Morpholinium,4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methyl-, chloride (1:1) (CAS NO.3945-69-5): API intermediates;Biochemistry;Condensation & Active Esterification;Coupling Reactions (Peptide Synthesis);Peptide Synthesis;Synthetic Organic Chemistry 
SMILES: [Cl-].n1c(nc(OC)nc1OC)[N+]2(C)CCOCC2 
InChI: InChI=1/C10H17N4O3.ClH/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;/h4-7H2,1-3H3;1H/q+1;/p-1
InChIKey: BMTZEAOGFDXDAD-REWHXWOFAF
Std. InChI: InChI=1S/C10H17N4O3.ClH/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;/h4-7H2,1-3H3;1H/q+1;/p-1
Std. InChIKey: BMTZEAOGFDXDAD-UHFFFAOYSA-M

Safety Profile

Safety information of Morpholinium,4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methyl-, chloride (1:1) (CAS NO.3945-69-5):
Hazard Codes: CorrosiveC
Risk Statements: 34-40-20/21/22
 R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R34:Causes burns. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR UN: 3261 8/PG 2
WGK Germany: 3
F: 10-21
HazardClass: 8
PackingGroup: III 

Specification

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 foam, dry chemical, or carbon dioxide 
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Use only in a chemical fume hood.
Storage: Store in a cool, dry place. Store in a tightly closed container. Store in a dry area. Corrosives area. Deep freeze (below -20°C). Store under nitrogen.