pyridoxine triacetate
pyridoxal hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In water for 2h; Heating; | 98% |
With hydrogenchloride; water for 2h; Heating / reflux; | 72% |
5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid diethyl ester
pyridoxal hydrochloride
Conditions | Yield |
---|---|
Stage #1: 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid diethyl ester With sodium tetrahydroborate; iron(II) sulfate; N,N-dimethyl-aniline In tetrahydrofuran for 4h; Reflux; Stage #2: With hydrogenchloride In tetrahydrofuran at 20℃; Reagent/catalyst; Solvent; | 93.4% |
pyridoxal hydrochloride
Conditions | Yield |
---|---|
Stage #1: 4,5-dihydroxymethyl-2-methyl-2-cyclopentenone With ozone In methanol; water at -30℃; for 3h; Stage #2: With ammonia In methanol; water at 20 - 25℃; for 3h; Stage #3: With hydrogenchloride; pyrographite In ethanol at 55 - 60℃; for 1h; Temperature; Solvent; | 92% |
methyl 2-aminopropanoate monohydrochloride
pyridoxal hydrochloride
Conditions | Yield |
---|---|
Stage #1: 2-hydroxymethyl-3-cyano-4-hydroxy-n-butyraldehyde; methyl 2-aminopropanoate monohydrochloride With sodium methylate In methanol at 30 - 50℃; for 5h; Green chemistry; Stage #2: With hydrogenchloride In methanol; water for 2h; Temperature; Solvent; Reagent/catalyst; Reflux; Green chemistry; | 90.5% |
Conditions | Yield |
---|---|
Stage #1: 4-methyl-5-dimethyl-tert-butylsiloxyoxazole; 2-propyl-4,7-dihydro-2H-1,3-dioxepine at 115 - 120℃; for 10h; Stage #2: With water In ethanol at 20℃; for 3h; Stage #3: With hydrogenchloride In ethanol; water at 20℃; for 2h; | 89.5% |
Conditions | Yield |
---|---|
Stage #1: Diels-Alder adduct With hydrogenchloride In ethanol; water at 20℃; for 2h; Stage #2: In ethanol; water for 2h; | 86.05% |
pyridoxal hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride; pyrographite In ethanol; water at 75 - 78℃; for 3h; Temperature; | 83.5% |
Conditions | Yield |
---|---|
Stage #1: 4-methyl-5-triisopropylsiloxyoxazole; 2-propyl-4,7-dihydro-2H-1,3-dioxepine at 115 - 120℃; for 10h; Stage #2: With water In ethanol at 20℃; for 3h; Stage #3: With hydrogenchloride In ethanol; water at 20℃; for 2h; | 82.7% |
2-propyl-4,7-dihydro-2H-1,3-dioxepine
4-methyl-5-butoxy1,3-oxazole
pyridoxal hydrochloride
Conditions | Yield |
---|---|
Stage #1: 2-propyl-4,7-dihydro-2H-1,3-dioxepine; 4-methyl-5-butoxy1,3-oxazole With calcium oxide at 150℃; for 12h; Diels-Alder Cycloaddition; Stage #2: With hydrogenchloride In ethanol; water at 20 - 60℃; for 12h; Stage #3: With hydrogenchloride In water for 1h; pH=8; Reagent/catalyst; Reflux; | 80% |
5-ethoxy-4-methyl-oxazole
2-propyl-4,7-dihydro-2H-1,3-dioxepine
pyridoxal hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride Diels-Alder Cycloaddition; | 78.5% |
3-amino-4,5-bis(aminomethyl)2-methylpyridine trihydrochloride
pyridoxal hydrochloride
Conditions | Yield |
---|---|
With sulfuric acid; sodium nitrite In water at 90℃; for 2h; | 75% |
2-Methyl-3-hydroxy-4,5-bis-(bromomethyl)-pyridine hydrobromide
pyridoxal hydrochloride
Conditions | Yield |
---|---|
With water; silver(I) chloride for 0.333333h; Heating; | 68% |
Multi-step reaction with 2 steps 1: 2.) AcONa / 1.) DMF, 55 degC, 1 h; 2.) DMF, 85 degC, 2.5 h 2: 98 percent / 2N HCl / H2O / 2 h / Heating View Scheme |
Conditions | Yield |
---|---|
With sulfuric acid; water; sodium nitrite at 20 - 90℃; for 2h; | 25% |
Conditions | Yield |
---|---|
With N-Bs In isopropyl alcohol at 25℃; for 0.5h; |
L-1-Deoxy<1,1,1-(2)H3,(RS)-5-(2)H1>xylulose
pyridoxal hydrochloride
Conditions | Yield |
---|---|
With D-glucose; Escherichia coli B WG2 Mechanism; |
3-amino-4-aminomethyl-5-hydroxymethyl-2-methylpyridine dihydrochloride
pyridoxal hydrochloride
Conditions | Yield |
---|---|
With cis-nitrous acid In water at 90℃; |
pyridoxal hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In water Yield given; |
hydrogenchloride
4,5-bis-aminomethyl-2-methyl-pyridin-3-ol
A
pyridoxal hydrochloride
Conditions | Yield |
---|---|
at 155 - 160℃; |
5-amino-6-methylpyridine-3,4-dicarbonitrile
pyridoxal hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 75 percent / conc. HCl, H2 / 5 percent Pd-C / methanol; H2O / 3.5 h / Ambient temperature 2: 75 percent / sodium nitrite, H2SO4 / H2O / 2 h / 90 °C View Scheme |
5-acetoxymethyl-3-amino-2-methylpyridine-4-carbonitrile
pyridoxal hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 88 percent / 1) conc. HCl, H2; 2) 0.2 N HCl / 1) 5 percent Pd-C / methanol; H2O / 1) 1 h, RT; 2) 1 h, 80 deg C 2: nitrous acid / H2O / 90 °C View Scheme |
3,4-bis(hydroxymethyl)furan
pyridoxal hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 100 percent / pyridine 2: 57 percent / p-toluenesulfonic acid / 2 h / 0 - 5 °C 3: electrochemical oxidation 4: HCl / H2O View Scheme |
3,4-furan dimethanol diacetate
pyridoxal hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 57 percent / p-toluenesulfonic acid / 2 h / 0 - 5 °C 2: electrochemical oxidation 3: HCl / H2O View Scheme |
Acetic acid 4-acetoxymethyl-2-(1-methoxycarbonylamino-ethyl)-furan-3-ylmethyl ester
pyridoxal hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: electrochemical oxidation 2: HCl / H2O View Scheme |
1,3-dihydro-6-methyl-7-iodofuro(3,4-c)pyridine
pyridoxal hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 36 percent / Na, MeOH / CuI2 / various solvent(s) / 16 h / Heating 2: 78 percent / 48percent HBr / 2 h / Heating 3: 68 percent / H2O, AgCl / 0.33 h / Heating View Scheme |
1,3-dihydro-6-methyl-7-methoxyfuro(3,4-c)pyridine
pyridoxal hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 78 percent / 48percent HBr / 2 h / Heating 2: 68 percent / H2O, AgCl / 0.33 h / Heating View Scheme |
1,3-dihydro-6-methyl-7-trimethylstannylfuro(3,4-c)pyridine
pyridoxal hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 99 percent / I2 / CHCl3 / 18 h / Ambient temperature 2: 36 percent / Na, MeOH / CuI2 / various solvent(s) / 16 h / Heating 3: 78 percent / 48percent HBr / 2 h / Heating 4: 68 percent / H2O, AgCl / 0.33 h / Heating View Scheme |
Conditions | Yield |
---|---|
With hydrogenchloride; water under 300.03 Torr; for 2h; Product distribution / selectivity; Heating / reflux; | |
Stage #1: 4,5'-O-isobutylidenepyridoxine With hydrogenchloride; water In tetrahydrofuran at 60 - 120℃; under 150.015 Torr; for 3h; Stage #2: With pyrographite In water at 0 - 60℃; Product distribution / selectivity; |
3-isopropyl-1,5-dihydro[1,3]dioxepino-3-methyl-4-n-butoxy-7-oxa-2-azabicyclo[2.2.1]hept-2-ene
A
pyridoxal hydrochloride
B
4,5'-O-isobutylidenepyridoxine
Conditions | Yield |
---|---|
Stage #1: 3-isopropyl-1,5-dihydro[1,3]dioxepino-3-methyl-4-n-butoxy-7-oxa-2-azabicyclo[2.2.1]hept-2-ene With water; acetic acid In tetrahydrofuran at 60℃; under 760.051 Torr; for 4h; Stage #2: With hydrogenchloride; water In tetrahydrofuran at 0 - 60℃; for 5h; Product distribution / selectivity; | |
Stage #1: 3-isopropyl-1,5-dihydro[1,3]dioxepino-3-methyl-4-n-butoxy-7-oxa-2-azabicyclo[2.2.1]hept-2-ene With water In tetrahydrofuran at 60℃; under 760.051 Torr; for 4h; Stage #2: With hydrogenchloride In tetrahydrofuran at 20 - 60℃; for 5h; Product distribution / selectivity; |
Conditions | Yield |
---|---|
In acetone | 100% |
pyridoxal hydrochloride
4,5-bis(chloromethyl)-3-hydroxy-2-methylpyridinium chloride
Conditions | Yield |
---|---|
With thionyl chloride In N,N-dimethyl-formamide for 0.5h; Reflux; Inert atmosphere; | 99% |
With thionyl chloride In dichloromethane; N,N-dimethyl-formamide for 12h; Reflux; | 96% |
With thionyl chloride; N,N-dimethyl-formamide at 80℃; for 3h; | 93% |
Conditions | Yield |
---|---|
Stage #1: pyridoxal hydrochloride With RuCl2(PPh3)2(BAOBEA); dihydrogen peroxide In water at 60℃; for 0.25h; Stage #2: 4-aminobenzene sulfonic acid In water for 0.0833333h; Reflux; | 98.25% |
pyridoxal hydrochloride
2,2-dimethoxy-propane
(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In acetone at 20℃; | 98% |
With toluene-4-sulfonic acid In acetone at 20℃; for 23h; | 96% |
With toluene-4-sulfonic acid In acetone at 20℃; for 23h; | 96% |
With toluene-4-sulfonic acid In acetone at 20℃; for 20h; Inert atmosphere; | 86% |
With toluene-4-sulfonic acid In water; acetone for 20h; Inert atmosphere; | 80% |
Conditions | Yield |
---|---|
With triethylamine In tert-butyl methyl ether at 50 - 65℃; for 2.5h; Industry scale; Heating / reflux; | 96% |
With pyridine Ambient temperature; | 57% |
With pyridine |
pyridoxal hydrochloride
acetic anhydride
2,4-dimethyl-5-acetoxymethylpyridin-3-ol
Conditions | Yield |
---|---|
With zinc for 2h; Reflux; | 95% |
Conditions | Yield |
---|---|
With lithium carbonate In water byproducts: CO2; to soln. pyridoxine/water was added equimolar amt. glutamic acid and excess Li2CO3, after evolution CO2 completed addn. equimolar soln. CoCl2/H2O, formation of pink ppt.; ppt. separated, washed (EtOH and ether) until powdery, elem. anal.; | 94.4% |
Conditions | Yield |
---|---|
Stage #1: pyridoxal hydrochloride With acetic acid; zinc for 12h; Reflux; Stage #2: With hydrogenchloride In methanol at 0℃; for 2h; | 94% |
Stage #1: pyridoxal hydrochloride With acetic acid; zinc for 12h; Reflux; Stage #2: With hydrogenchloride In methanol; water at 0℃; for 2h; | 94% |
With acetic acid; zinc for 24h; Reflux; | 94% |
Stage #1: pyridoxal hydrochloride With acetic acid; zinc at 120℃; for 3h; Stage #2: With hydrogenchloride In methanol at 60℃; for 1h; | 93% |
Multi-step reaction with 2 steps 1: zinc / 72 h / Reflux 2: hydrogenchloride / water / 8 h / 50 °C View Scheme |
pyridoxal hydrochloride
4,5-bis-chloromethyl-2-methyl-pyridin-3-ol
Conditions | Yield |
---|---|
With thionyl chloride In N,N-dimethyl-formamide for 0.5h; Reflux; | 93% |
With thionyl chloride In N,N-dimethyl-formamide for 0.5h; Inert atmosphere; Reflux; | 93% |
pyridoxal hydrochloride
2,2-dimethoxy-propane
A
(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
B
1,5-dihydro-3,3,8-trimethyl<1,3>dioxepino<5,6-y>pyridin-9-ol
Conditions | Yield |
---|---|
With sulfuric acid In dichloromethane for 6h; Heating; | A 92% B n/a |
pyridoxal hydrochloride
A
1,5-dihydro-3,3,8-trimethyl<1,3>dioxepino<5,6-y>pyridin-9-ol
B
2,2-dimethoxy-propane
Conditions | Yield |
---|---|
With sulfuric acid In dichloromethane for 6h; Heating; Title compound not separated from byproducts; | A n/a B 92% |
pyridoxal hydrochloride
acetone
(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride | 92% |
With hydrogenchloride for 2.5h; | 90.9% |
With hydrogenchloride at 20 - 30℃; for 6h; | 85% |
With hydrogenchloride HCl introduction below 10 degC, then -10 degC, overnight; | 54% |
With hydrogenchloride at 0℃; for 2h; | 27.3 g |
pyridoxal hydrochloride
acetone
(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanol
Conditions | Yield |
---|---|
With thionyl chloride In chloroform at 20℃; for 6h; ketalization; | 91% |
With sulfuric acid at 20℃; | 65% |
With Dess-Martin periodane; toluene-4-sulfonic acid at 20℃; for 20h; Inert atmosphere; | 63% |
Conditions | Yield |
---|---|
With thionyl chloride In chloroform at 20℃; ketalization; | 90% |
With sulfuric acid | |
Acidic conditions; |
pyridoxal hydrochloride
acetone
1,5-dihydro-3,3,8-trimethyl<1,3>dioxepino<5,6-y>pyridin-9-ol
Conditions | Yield |
---|---|
With thionyl chloride In chloroform at 0 - 20℃; for 7h; ketalization; | 90% |
With hydrogenchloride at 3 - 20℃; | 87% |
(i) HCl, (ii) aq. K2CO3; Multistep reaction; |
pyridoxal hydrochloride
acetone
chlorhydrate d'hydroxy-8 trimethyl-2,2,7 pyrido-<4,5-e>dioxa 1,3-cycloheptane
Conditions | Yield |
---|---|
With hydrogenchloride at 0℃; for 1h; | 88% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene for 17h; Reflux; Dean-Stark; | 87% |
Conditions | Yield |
---|---|
Stage #1: pyridoxal hydrochloride With manganese(IV) oxide; sulfuric acid In water at 60 - 70℃; Stage #2: benzoic acid hydrazide In water for 0.166667h; Heating; | 86% |
Conditions | Yield |
---|---|
In pyridine; dichloromethane at 20℃; Inert atmosphere; | 85% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 83% |
With triethylamine In tetrahydrofuran for 1.5h; Cooling with ice; | 67% |
pyridoxal hydrochloride
benzyl bromide
[5-(benzyloxy)-4-(hydroxymethyl)-6-methylpyridin-3-yl]methanol
Conditions | Yield |
---|---|
Stage #1: pyridoxal hydrochloride With potassium carbonate In acetonitrile at 90℃; for 1h; Stage #2: benzyl bromide In acetonitrile for 3h; Reflux; | 83% |
IUPAC Name: 4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride
Molecular Formula: C8H12ClNO3
Molecular Weight: 205.64 g/mol
SMILES: c1(c(cnc(c1O)C)CO)CO.Cl
InChI: InChI=1/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
EINECS: 200-386-2
Classification Code: Drug / Therapeutic Agent; Human Data; Mutation data; Reproductive Effect; Vitamin [enzyme co-factor]
Product Categories: Biochemistry; Pyridinium Compounds; Vitamins; Nutritional Supplements; Vitamins and derivatives; Aromatics; Heterocycles; Vitamin Ingredients
Flash Point: 251.3 °C
Enthalpy of Vaporization: 79.91 kJ/mol
Boiling Point: 491.9 °C at 760 mmHg
Melting Point: 214-215 °C(lit.)
storage temperature: 2-8 °C
solubility: H2O: 0.1 g/mL at 20 °C, clear, colorless
Sensitive: Light Sensitive
Stability: Stable. Protect from air and light.
Vapour Pressure of Pyridoxine hydrochloride (CAS NO.58-56-0): 1.71E-10 mmHg at 25 °C
Pyridoxine hydrochloride (CAS NO.58-56-0) is widely used in pharmaceutical ,food and feed additives and also could be used in the cosmetics .
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LD50 | intramuscular | 500mg/kg (500mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
cat | LD50 | intravenous | 560mg/kg (560mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
cat | LD50 | oral | 1gm/kg (1000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
dog | LD50 | oral | > 500mg/kg (500mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. | |
mouse | LD50 | intravenous | 660mg/kg (660mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
mouse | LD50 | oral | 5500mg/kg (5500mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
mouse | LD50 | subcutaneous | 2450mg/kg (2450mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
pigeon | LD50 | intravenous | 145mg/kg (145mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
rabbit | LD50 | intravenous | 464mg/kg (464mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
rat | LD50 | intravenous | 530mg/kg (530mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
rat | LD50 | oral | 4gm/kg (4000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
rat | LD50 | subcutaneous | 3gm/kg (3000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961. |
Reported in EPA TSCA Inventory.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 2
RTECS of Pyridoxine hydrochloride (CAS NO.58-56-0): UV1350000
Pyridoxine hydrochloride (CAS NO.58-56-0), its Synonyms are 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride ; 5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride ; Vitamin B6 hydrochloride ; 2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride ; 3-Hydroxy-4,5-dihydroxymethyl-2-methylpyridine hydrochloride ; 3-Hydroxy-4,5-dimethylol-alpha-picoline hydrochloride ; 4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride ; Aderomine hydrochloride ; 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride (1:1) . It is crystalline.
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