Conditions | Yield |
---|---|
With sodium hypochlorite; sodium chlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In acetonitrile for 10h; Solvent; | 90.1% |
With choline oxidase; oxygen; pyrophosphoric acid at 25℃; pH=6.5; Enzyme kinetics; Further Variations:; Temperatures; pH-values; | |
With choline oxidase; oxygen In aq. phosphate buffer at 37℃; for 312h; Enzymatic reaction; | |
With choline oxidase; oxygen |
Conditions | Yield |
---|---|
bei Gegenwart von Wasser; |
Conditions | Yield |
---|---|
intermediaere Bildung von Glycin-methylester; | |
With diethyl ether; water |
Conditions | Yield |
---|---|
With benzene Man erhitzt im geschlossenen Gefaess auf ca. 90grad und verseift den ausgeschiedenen Betainester mit verd. Salzsaeure im geschlossenen Gefaess bei 100-150grad; |
Conditions | Yield |
---|---|
bei der Methylierung; |
Conditions | Yield |
---|---|
at 80 - 90℃; |
Conditions | Yield |
---|---|
With alkali durch Einwirkung von Leber- und Nieren-Praeparaten unter aeroben Bedingungen; | |
With potassium permanganate; sulfuric acid | |
With sulfuric acid; permanganate(VII) ion | |
With choline dehydrogenase Enzymatic reaction; | |
With choline oxidase |
Conditions | Yield |
---|---|
at 170 - 200℃; in geschlossenem Rohr; |
Conditions | Yield |
---|---|
With alkali durch Einwirkung von Leber- und Nieren-Praeparaten unter aeroben Bedingungen; |
Conditions | Yield |
---|---|
With potassium permanganate; sulfuric acid |
Conditions | Yield |
---|---|
With benzene Man erhitzt im geschlossenen Gefaess auf ca. 90grad und verseift den ausgeschiedenen Betainester mit verd. Salzsaeure im geschlossenen Gefaess bei 100-150grad; |
Conditions | Yield |
---|---|
mit Weizenkeimlingen; | |
mit Weizenkeimlingen; ueber den Verlauf dieser Reaktion; |
Conditions | Yield |
---|---|
With sodium hydroxide |
Conditions | Yield |
---|---|
at 50℃; |
Conditions | Yield |
---|---|
With sodium hydroxide at 50℃; |
Conditions | Yield |
---|---|
at 160℃; |
betaine
Conditions | Yield |
---|---|
In water at 50 - 70℃; |
(carboxymethyl)trimethylammonium chloride methyl ester
A
methanol
B
betaine
Conditions | Yield |
---|---|
With sodium hydroxide; lithium chloride In water at 25℃; Rate constant; other salts, MTACl or CTACl wer used; |
Conditions | Yield |
---|---|
With sodium hydroxide In water at 18℃; Rate constant; Thermodynamic data; var. temps., var. solvents; ΔH(activ.), ΔS(activ.), (δΔHS1->S2), ΔHS; |
diazomethane
diethyl ether
water
glycine
betaine
Conditions | Yield |
---|---|
b.Behand.mit ueberschuess.Diazomethan entstehen entsprech.Betaine;analoge Reakt.mit Aminosaeuren,die in wss.Loesung als Zwitterionen vorliegen; |
Conditions | Yield |
---|---|
ueber die Methylierung in Gegenwart von Transmethylase-Praeparaten aus Leber und Niere unter anaeroben Bedingungen; |
Conditions | Yield |
---|---|
With potassium dihydrogenphosphate; 18-crown-6 ether In acetonitrile at 90℃; for 0.5h; | 100% |
Conditions | Yield |
---|---|
for 0.75h; | 100% |
In n-heptane at 20℃; for 15h; Solvent; Temperature; Inert atmosphere; | 50% |
betaine
Conditions | Yield |
---|---|
In water at 10℃; for 0.166667h; | 100% |
trifluoro-N-(fluorosulfonyl)methanesulfonylamide
betaine
Conditions | Yield |
---|---|
at 20 - 70℃; for 0.5h; Temperature; Inert atmosphere; | 99.5% |
betaine
Conditions | Yield |
---|---|
With bis(fluorosulfonyl)amide In water at 40℃; for 0.5h; Temperature; Concentration; | 99% |
Conditions | Yield |
---|---|
In acetonitrile at 80℃; for 72h; | 99% |
In acetonitrile at 80℃; Green chemistry; | 91% |
Conditions | Yield |
---|---|
In acetonitrile at 80℃; for 72h; | 99% |
In acetonitrile at 80℃; Green chemistry; | 88% |
Conditions | Yield |
---|---|
In ethanol at 40℃; for 24h; | 97% |
betaine
cyanomethyl bromide
A
Trimethylammoniumessigsaeurebetain-ethylester-bromid
B
glycolonitrile
Conditions | Yield |
---|---|
In ethanol at 40℃; for 72h; Yields of byproduct given; | A 97% B n/a |
Conditions | Yield |
---|---|
In water at 10℃; for 0.166667h; | 97% |
Conditions | Yield |
---|---|
In acetonitrile at 80℃; for 16h; | 97% |
In acetonitrile at 80℃; Green chemistry; | 92% |
Conditions | Yield |
---|---|
In ethanol at 25℃; for 0.5h; | 97% |
Conditions | Yield |
---|---|
In ethanol at 25℃; for 0.5h; | 97% |
Conditions | Yield |
---|---|
In acetonitrile at 80℃; for 24h; | 96% |
In acetonitrile at 80℃; Green chemistry; | 90% |
Conditions | Yield |
---|---|
In acetonitrile at 80℃; for 16h; | 96% |
In acetonitrile at 80℃; Green chemistry; | 94% |
betaine
Conditions | Yield |
---|---|
With sulfuric acid at 20℃; for 0.333333h; | 95% |
With sulfuric acid at 60℃; |
Conditions | Yield |
---|---|
at 160℃; for 25h; Dean-Stark; Green chemistry; | 95% |
Conditions | Yield |
---|---|
In acetonitrile at 80℃; Green chemistry; | 95% |
In acetonitrile at 100℃; for 24h; |
Conditions | Yield |
---|---|
at 20℃; for 0.333333h; | 95% |
Conditions | Yield |
---|---|
at 20℃; for 0.333333h; | 95% |
Conditions | Yield |
---|---|
at 20℃; for 0.333333h; | 95% |
Conditions | Yield |
---|---|
In acetonitrile at 80℃; Green chemistry; | 95% |
In acetonitrile at 80℃; for 24h; | 95% |
Conditions | Yield |
---|---|
In acetonitrile at 80℃; Green chemistry; | 95% |
Conditions | Yield |
---|---|
In ethanol at 25℃; for 0.5h; | 95% |
Conditions | Yield |
---|---|
In ethanol at 25℃; for 0.5h; | 94% |
Conditions | Yield |
---|---|
In methanol at 50℃; for 12h; Inert atmosphere; | 93.51% |
Conditions | Yield |
---|---|
In methanol at 60℃; for 12h; Inert atmosphere; | 93.32% |
Conditions | Yield |
---|---|
In methanol at 65℃; for 12h; Inert atmosphere; | 93.23% |
Conditions | Yield |
---|---|
at 130 - 140℃; under 37.5038 - 75.0075 Torr; for 8h; Green chemistry; | 93% |
Conditions | Yield |
---|---|
In acetonitrile at 100℃; for 24h; | 93% |
In acetonitrile at 80℃; Green chemistry; | 89% |
The Betaine, with the CAS registry number 107-43-7,is also known as Methanaminium; Trimethylammonioacetate. It belongs to the product categories of Molecular Biology Reagents;PCR Reaction Components;PCR/Amplification. This chemical's molecular formula is C5H11NO2 and molecular weight is 117.15.Its EINECS number is 203-490-6. What's more,Its systematic name is Betaine. It is a white crystal powder which is stable, hygroscopic and incompatible with strong oxidizing agents.It is a naturally occurring compound that has been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. Betaine can be used to treat high homocysteine levels. Its alkylated derivates are used as quaternary ammonium zwitterionic surfactants.
Physical properties about Betaine are:
(1)ACD/LogP: -3.228; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.63; (4)ACD/LogD (pH 7.4): -2.63; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.66; (8)ACD/KOC (pH 7.4): 1.66; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2;
You can still convert the following datas into molecular structure:
(1)SMILES:C[N+](C)(C)CC(=O)[O-];
(2)Std. InChI:InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3;
(3)Std. InChIKey:KWIUHFFTVRNATP-UHFFFAOYSA-N.
Safety Information of Betaine:
The Betaine is harmful by inhalation, in contact with skin and if swallowed, and irritating to eyes, respiratory system and skin. When you use it ,you should avoid contact with skin and eyes.,and wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
The toxicity data of Betaine are as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 830mg/kg (830mg/kg) | Medicina et Pharmacologia Experimentalis. Vol. 16, Pg. 529, 1967. | |
mouse | LD50 | subcutaneous | 10800mg/kg (10800mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: FLUID INTAKE LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Acta Biologica et Medica Germanica. Vol. 3, Pg. 28, 1959. |
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