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CAS No.: | 3945-69-5 |
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Name: | 4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methyl morpholinium chloride |
Article Data: | 36 |
Cas Database | |
Molecular Structure: | |
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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: |
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Risk Codes: | R20/21/22;R34;R40 |
Safety: | S26;S36/37/39;S45 |
Transport Information: | UN 3261 |
PSA: | 75.59000 |
LogP: | -3.10440 |
4-methyl-morpholine
2-chloro-4,6-dimethoxy-1 ,3,5-triazine
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
Conditions | Yield |
---|---|
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% |
2-chloro-4,6-dimethoxy-1 ,3,5-triazine
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
Conditions | Yield |
---|---|
With 4-methyl-morpholine In tetrahydrofuran; methanol | 97.4% |
With 4-methyl-morpholine In tetrahydrofuran; methanol | 96.9% |
With 4-methyl-morpholine In ethyl acetate | 94.6% |
4-methyl-morpholine
2-chloro-4,6-dimethoxy-1 ,3,5-triazine
B
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 17h; Substitution; | A 95% B 2% |
In dichloromethane at 20℃; for 0.5h; Substitution; | A 21% B 78% |
4-methyl-morpholine
2-chloro-4,6-dimethoxy-1 ,3,5-triazine
butyric acid
A
C9H13N3O4
B
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
Conditions | Yield |
---|---|
In [D3]acetonitrile for 1h; |
4-methyl-morpholine
methanol
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
Conditions | Yield |
---|---|
at 0 - 20℃; for 0.00416667h; |
2-Methylbutanoic acid
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
Conditions | Yield |
---|---|
In 1,2-dimethoxyethane at 0℃; for 3h; Condensation; | 100% |
1-(tert-butoxycarbonyl)-L-proline
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
Conditions | Yield |
---|---|
In 1,2-dimethoxyethane at 0℃; for 3h; Condensation; | 100% |
t-Boc-L-valine
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
2-tert-butoxycarbonylamino-3-methyl-butyric acid 4,6-dimethoxy-[1,3,5]triazin-2-yl ester
Conditions | Yield |
---|---|
In 1,2-dimethoxyethane at 0℃; for 3h; Condensation; | 100% |
N-tert-butoxycarbonyl-L-leucine
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
2-tert-butoxycarbonylamino-4-methyl-pentanoic acid 4,6-dimethoxy-[1,3,5]triazin-2-yl ester
Conditions | Yield |
---|---|
In 1,2-dimethoxyethane at 0℃; for 3h; Condensation; | 100% |
L-N-Boc-Ala
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
Conditions | Yield |
---|---|
In 1,2-dimethoxyethane at 0℃; for 3h; Condensation; | 100% |
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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 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: C
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
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.