1,3-Dihydroxyacetone supplier

Name
1,3-Dihydroxyacetone
EINECS 202-494-5
CAS No. 96-26-4
Article Data208
CAS DataBase
Density 1.283 g/cm³
Solubility >250 g/L (20 °C) in water
Melting Point 75-80 °C
Formula C₃H₆O₃
Boiling Point 213.7 °C at 760 mmHg
Molecular Weight 90.0788
Flash Point 97.3 °C
Transport Information
Appearance white powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Dihydroxy-2-propanone;Bis(hydroxymethyl) ketone;Chromelin;Dihydroxyacetone;Dihyxal;NSC 24343;Otan;Oxantin;Oxatone;Soleal;Triulose;Viticolor;a,a'-Dihydroxyacetone;1,3-Dihydroxyacetone;
PSA 57.53000
LogP -1.45990

Synthetic route

: 100-52-7
benzaldehyde

: 56-81-5
glycerol

A: 96-26-4
dihydroxyacetone

B: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
With potassium hydroxide at 120℃; for 7h; Inert atmosphere;	A n/a B 99%
With C40H50IrNP2 at 100℃; for 3h; Inert atmosphere; chemoselective reaction;	A 24 %Chromat. B 46 %Chromat.

...Expand

: 52941-82-9
2-phenyl-1,3-dioxan-5-one

: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
With hydrogenchloride In water at 80℃; for 2h; Reagent/catalyst; Inert atmosphere;	96%

: 56-81-5
glycerol

: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In water; acetonitrile at 60℃; under 760.051 Torr; for 12h;	95%
With C32H30N4O4Pd2(2+); p-benzoquinone In water; acetonitrile at 23℃; for 4h; chemoselective reaction;	92%
With C30H42N4O6Pd2(2+)*2CF3O3S(1-); p-benzoquinone In water; acetonitrile at 55℃; for 24h; Darkness; chemoselective reaction;	87%

: 56-81-5
glycerol

A: 79-14-1
glycolic Acid

B: 473-81-4
glyceric acid

C: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
With oxygen In water at 60℃; Catalytic behavior; Reagent/catalyst; Autoclave; chemoselective reaction;	A 8.9% B 89.9% C 6.8%
With oxygen In water at 80℃; under 7500.75 Torr; for 2h; pH=6.7; Reagent/catalyst; Autoclave;
With oxygen In water at 60℃; under 3750.38 Torr; for 24h; Catalytic behavior; Kinetics; Reagent/catalyst; Time; High pressure;	A 7.8 %Chromat. B 55.4 %Chromat. C 7.7 %Chromat.

...Expand

: 56-81-5
glycerol

A: 50-00-0
formaldehyd

B: 80-69-3
tartronic acid

C: 473-81-4
glyceric acid

D: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
With oxygen In water at 60℃; Catalytic behavior; Reagent/catalyst; Autoclave; chemoselective reaction;	A n/a B n/a C 84.9% D 6.5%

...Expand

: 56-81-5
glycerol

A: 473-81-4
glyceric acid

B: 96-26-4
dihydroxyacetone

C: 56-82-6
Glyceraldehyde

Conditions

Conditions	Yield
With oxygen In water at 60℃; Catalytic behavior; Reagent/catalyst; Autoclave; chemoselective reaction;	A 84.2% B 9.5% C 6.3%
With oxygen In water at 60℃; under 760.051 Torr; for 4h; Catalytic behavior;
With Pt-MCM-41 catalyst; oxygen In water at 69.84℃; under 760.051 Torr; pH=Ca. 7; Kinetics; Catalytic behavior; Reagent/catalyst; Temperature;

...Expand

: 50-00-0
formaldehyd

: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
With Thiamine hydrochloride; triethylamine In N,N-dimethyl-formamide at 75℃;	80%
With 3-hexylbenzothiazolium bromide; triethylamine In ethanol at 100℃; for 0.5h; Temperature; Reagent/catalyst; Inert atmosphere;	63.5%
With triethylamine; 3-ethylbenzothiazolium bromide In ethanol at 100℃; for 0.5h; Product distribution; Mechanism; different reagents, solvents catalysts, reaction time and temperature;

: 534-07-6
1,3-Dichloroacetone

: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
With Amberlyst A26-OH- form resin In acetonitrile at 20℃; for 3h; Solvent;	80%
With sodium hydroxide; ethanol; water at -22℃;
With sodium hydroxide at 50℃; for 1h; Temperature; Reagent/catalyst;	15.35 g

: 98-86-2
acetophenone

: 56-81-5
glycerol

A: 96-26-4
dihydroxyacetone

B: 98-85-1, 13323-81-4
1-Phenylethanol

Conditions

Conditions	Yield
With [IrCl(COD)(C3H2N2(3,4,5-trimethoxybenzyl)(n-Bu))]; potassium hydroxide at 120℃; for 7h; Inert atmosphere;	A n/a B 80%
With C40H50IrNP2 at 120℃; for 1h; Inert atmosphere; chemoselective reaction;	A 6 %Chromat. B 8 %Chromat.

...Expand

: 56-81-5
glycerol

A: 849585-22-4
LACTIC ACID

B: 96-26-4
dihydroxyacetone

C: 56-82-6
Glyceraldehyde

Conditions

Conditions	Yield
With silver dodecamolybdophosphate; oxygen In water at 60℃; under 3750.38 Torr; for 5h; Catalytic behavior; Reagent/catalyst; Autoclave;	A 72% B n/a C n/a
With phosphomolybdic acid; dihydrogen peroxide at 60℃; for 0.133333h; Catalytic behavior;	A 42% B n/a C n/a
With MoO40W12(3-)*Cr(3+); oxygen In water at 60℃; under 7500.75 Torr; for 20h; Autoclave;	A 12.9% B 8.6% C 5.9%

...Expand

: 6305-40-4
1,3-diiodopropan-2-one

: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
With Amberlyst A26-OH- form resin In acetonitrile at 20℃; for 3h;	66%

: 816-39-7
1,3-dibromoroacetone

: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
With Amberlyst A26-OH- form resin In acetonitrile at 20℃; for 3h;	64%

: 56-82-6
Glyceraldehyde

: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
With D-glucose; chromium(III) chloride hexahydrate In water at 110℃; for 0.5h;	60.2%
In aq. phosphate buffer	59%
With pyridine

: 87-72-9, 608-45-7, 608-46-8, 608-47-9, 2460-44-8, 6748-95-4, 6763-34-4, 7261-26-9, 7283-06-9, 7283-07-0, 7296-55-1, 7296-56-2, 7296-58-4, 7296-59-5, 7296-60-8, 7296-61-9, 7296-62-0, 7322-30-7, 10257-31-5, 10257-32-6, 10257-33-7, 10257-34-8, 10257-35-9, 19982-83-3, 20242-88-0, 28697-53-2, 36562-42-2, 41546-41-2, 89299-64-9, 107655-34-5, 115794-06-4, 115794-07-5, 130550-15-1, 130606-21-2
D-Xylose

A: 98-01-1
furfural

B: 96-26-4
dihydroxyacetone

C: 141-46-8
Glycolaldehyde

D: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With SO4(2-)/12 wt percent ZrO2-Al2O3/SBA-15 In water; toluene at 160℃; for 4h;	A 52.7% B n/a C n/a D n/a

...Expand

: 56-81-5
glycerol

A: 849585-22-4
LACTIC ACID

B: 473-81-4
glyceric acid

C: 96-26-4
dihydroxyacetone

D: 64-19-7
acetic acid

E: 56-82-6
Glyceraldehyde

Conditions

Conditions	Yield
With oxygen In water at 60℃; under 3750.38 Torr; for 5h; Catalytic behavior; Autoclave;	A 45% B n/a C n/a D n/a E n/a

...Expand

: 2280-44-6
D-Glucose

A: 849585-22-4
LACTIC ACID

B: 470-23-5, 470-24-6, 10247-46-8, 10489-79-9, 35673-97-3, 36441-90-4, 36441-92-6, 36468-68-5, 37500-17-7, 40461-86-7, 40461-87-8, 41579-20-8, 41846-98-4, 41846-99-5, 41847-00-1, 41847-01-2, 41847-02-3, 41847-03-4, 41847-04-5, 41847-05-6, 41847-06-7, 41847-51-2, 41847-52-3, 42744-42-3
D-fructose

C: 96-26-4
dihydroxyacetone

D: 141-46-8
Glycolaldehyde

Conditions

Conditions	Yield
With Mg-Al hydrotalcite In water at 90℃; for 48h; pH=7.1; Reagent/catalyst; Time; Concentration;	A n/a B 42% C n/a D n/a

...Expand

: 367261-89-0
2-C-(hydroxymethyl)-D-glycero-D-gulo-heptose

A: 10323-20-3
D-Arabinose

B: 96-26-4
dihydroxyacetone

C: 1016606-96-4
D-glycero-D-ido-oct-2-ulose

Conditions

Conditions	Yield
With molybdic acid In water at 85℃; for 8h;	A n/a B n/a C 40%

...Expand

: 56-81-5
glycerol

A: 79-14-1
glycolic Acid

B: 849585-22-4
LACTIC ACID

C: 96-26-4
dihydroxyacetone

D: 56-82-6
Glyceraldehyde

Conditions

Conditions	Yield
With dihydrogen peroxide In water at 60℃; for 1h; Reagent/catalyst; Temperature; Time;	A n/a B 36% C n/a D n/a

...Expand

: 2280-44-6
D-Glucose

A: 470-23-5, 470-24-6, 10247-46-8, 10489-79-9, 35673-97-3, 36441-90-4, 36441-92-6, 36468-68-5, 37500-17-7, 40461-86-7, 40461-87-8, 41579-20-8, 41846-98-4, 41846-99-5, 41847-00-1, 41847-01-2, 41847-02-3, 41847-03-4, 41847-04-5, 41847-05-6, 41847-06-7, 41847-51-2, 41847-52-3, 42744-42-3
D-fructose

B: 96-26-4
dihydroxyacetone

C: 141-46-8
Glycolaldehyde

Conditions

Conditions	Yield
With hydrophilic hydrotalcite in hydroxy form (HT-R) In water at 90℃; for 24h;	A 33% B n/a C n/a

...Expand

: 2280-44-6
D-Glucose

A: 849585-22-4
LACTIC ACID

B: 530-26-7
D-Mannose

C: 470-23-5, 470-24-6, 10247-46-8, 10489-79-9, 35673-97-3, 36441-90-4, 36441-92-6, 36468-68-5, 37500-17-7, 40461-86-7, 40461-87-8, 41579-20-8, 41846-98-4, 41846-99-5, 41847-00-1, 41847-01-2, 41847-02-3, 41847-03-4, 41847-04-5, 41847-05-6, 41847-06-7, 41847-51-2, 41847-52-3, 42744-42-3
D-fructose

D: 96-26-4
dihydroxyacetone

E: 141-46-8
Glycolaldehyde

Conditions

Conditions	Yield
With Mg-Al hydrotalcite In water at 90℃; for 48h; pH=7.2;	A n/a B n/a C 26% D n/a E n/a

...Expand

: 56-81-5
glycerol

A: 849585-22-4
LACTIC ACID

B: 96-26-4
dihydroxyacetone

C: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With MoO40W12(3-)*Al(3+); oxygen In water at 60℃; under 7500.75 Torr; for 20h; Kinetics; Autoclave;	A 25% B 14.5% C 6.2%

...Expand

: 56-82-6
Glyceraldehyde

A: 96-26-4
dihydroxyacetone

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With MoO40W12(3-)*Al(3+) In water at 60℃; under 7500.75 Torr; for 20h; Autoclave; Inert atmosphere;	A 25% B 9%

: 56-81-5
glycerol

A: 849585-22-4
LACTIC ACID

B: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
With MoO40W12(3-)*Fe(3+); oxygen In water at 60℃; under 7500.75 Torr; for 20h; Autoclave;	A 19.8% B 13.9%

: 56-81-5
glycerol

A: 96-26-4
dihydroxyacetone

B: 56-82-6
Glyceraldehyde

C: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With 3H(1+)*MoO40W12(3-); oxygen In water at 60℃; under 7500.75 Torr; for 20h; Autoclave;	A 16% B 14.9% C 8.4%

...Expand

: 56-81-5
glycerol

A: 79-14-1
glycolic Acid

B: 1113-60-6
3-hydroxy-2-oxopropionic acid

C: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
With pyridine; dodecacarbonyl triosmium; dihydrogen peroxide In acetonitrile at 60℃; for 13h; Kinetics; Temperature;	A 8% B 1.5% C 7.5%
With pyridine; dodecacarbonyl triosmium; dihydrogen peroxide In acetonitrile at 60℃; for 5h; Kinetics; Temperature;	A 4% B 2.7% C 8.3%

...Expand

: 110-86-1
pyridine

: 56-82-6
Glyceraldehyde

: 96-26-4
dihydroxyacetone

: 50-99-7
D-glucose

A: 96-26-4
dihydroxyacetone

B: 56-82-6
Glyceraldehyde

Conditions

Conditions	Yield
With sodium carbonate; sodium sulfite bei der Destillation;
With sodium carbonate; sodium sulfite

: 50-99-7
D-glucose

: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
Einw. von Tyrothrix tenuis;

: 50-99-7, 59-23-4, 921-60-8, 1949-88-8, 1990-29-0, 2152-76-3, 2595-97-3, 2595-98-4, 3458-28-4, 4205-23-6, 5934-56-5, 5978-95-0, 5987-68-8, 6027-89-0, 6038-51-3, 7635-11-2, 10030-80-5, 15572-79-9, 19163-87-2, 23567-25-1, 26566-61-0, 30077-17-9, 31103-86-3, 39665-52-6, 40866-07-7, 58367-01-4, 58407-05-9, 58407-06-0, 83198-69-0, 83198-70-3, 83198-71-4, 93780-23-5, 145920-48-5
glucose

: 96-26-4
dihydroxyacetone

Conditions

Conditions	Yield
durch Einw. der Mikrobe Tyrothrix tenuis;

: 96-26-4
dihydroxyacetone

: 57-04-5
dihydroxyacetone phosphate

Conditions

Conditions	Yield
With phosphoenolpyruvic acid; ATP for 0.75h; Enzymatic reaction;	100%
With sodium hydroxide; acetic acid phosphoric acid-anhydride; PAN-immobilized acetate kinase; PAN-immobilized glycerol kinase; ATP; 2-hydroxyethanethiol; magnesium chloride for 16h; Ambient temperature; pH=6.7-7.0;	98%
With pyridine; trichlorophosphate In acetonitrile 1) 0-5 degC, 20 min, 2) room temp., 20 min;	60 % Turnov.

: 96-26-4
dihydroxyacetone

: 82353-55-7, 105499-10-3, 141884-07-3, 111955-03-4
benzyl (S)-1-oxopropan-2-ylcarbamate

: 1274764-14-5
(3R,4S,5S)-PhCH2OC(O)NHCH(Me)CH(OH)CH(OH)C(O)CH2OH

Conditions

Conditions	Yield
With L-rhamnulose-1-phosphate aldolase at 25℃; for 24h; pH=7; Kinetics; Reagent/catalyst; aq. sodium borate buffer; Enzymatic reaction; stereoselective reaction;	100%
With L-rhamnulose-1-phosphate aldolase In N,N-dimethyl-formamide at 25℃; for 24h; pH=7.5; Aldol reaction; aq. buffer; Enzymatic reaction; optical yield given as %de; stereoselective reaction;	99 %Chromat.

: 96-26-4
dihydroxyacetone

: 3913-64-2
2(S)-hydroxypropanal

: 14807-05-7
6-deoxy-L-arabino-2-hexulose

Conditions

Conditions	Yield
With L-rhamnulose-1-phosphate aldolase at 25℃; for 24h; pH=7; aq. sodium borate buffer; Enzymatic reaction; stereoselective reaction;	100%

: 96-26-4
dihydroxyacetone

: 1210226-49-5
ethyl tetrahydro-2H-pyran-4-carbimidate hydrochloride

: (2-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)methanol

Conditions

Conditions	Yield
With ammonium hydroxide at 90℃; for 4h; Sealed tube;	100%

: 96-26-4
dihydroxyacetone

: tert-butyl 3-carbamimidoylazetidine-1-carboxylate

: tert-butyl 3-(5-(hydroxymethyl)-1H-imidazol-2-yl)azetidine-1-carboxylate

Conditions

Conditions	Yield
With ammonium hydroxide at 90℃; for 4h;	100%

: 96-26-4
dihydroxyacetone

: 849585-22-4
LACTIC ACID

Conditions

Conditions	Yield
With sodium hydroxide In water at 20℃; for 24h; Catalytic behavior; Reagent/catalyst; Green chemistry;	99.7%
With tin containing MWW type β-zeolite In water at 109.84℃; for 6h; Reagent/catalyst;	96%
With indium(III) triflate In water at 109.84℃; for 2h; Time; Reagent/catalyst;	95%

: 67-56-1
methanol

: 96-26-4
dihydroxyacetone

: 547-64-8
methyl lactate

Conditions

Conditions	Yield
With tin containing MWW type β-zeolite In decane at 119.84℃; for 24h; Reagent/catalyst;	99%
With Y-zeolite H-USY-6 In water at 115℃; for 24h; Inert atmosphere;	96%
With Sn(salen) functionalized [OMIm]Br at 160℃; under 15001.5 Torr; for 2h; Inert atmosphere; Autoclave; chemoselective reaction;	95.5%

: 96-26-4
dihydroxyacetone

: 106-49-0
p-toluidine

: 3085-54-9
N-(4-methylphenyl)formamide

Conditions

Conditions	Yield
With Cu/Al2O3; dihydrogen peroxide In water at 50℃; for 12h; Green chemistry;	99%

: 96-26-4
dihydroxyacetone

: 2,5-dihydro-2,2,4-tri-(hydroxymethyl)-1,3-oxazole

Conditions

Conditions	Yield
With ammonium hydroxide In methanol; chloroform at 22℃; for 18h;	98%
With ammonia In methanol at 20 - 24℃;

: 96-26-4
dihydroxyacetone

: 111-92-2
dibutylamine

: 761-65-9
N,N-dibutylformamide

Conditions

Conditions	Yield
With Cu/Al2O3; dihydrogen peroxide In water at 25℃; for 24h; Green chemistry;	98%

: 96-26-4
dihydroxyacetone

: 552-89-6
2-nitro-benzaldehyde

: 1114542-27-6
(3R,4S)-1,3,4-trihydroxy-4-(2-nitrophenyl)butan-2-one

Conditions

Conditions	Yield
With (+)-(S)-2-amino-1-phenyl-3-(pyrrolidin-1-yl)propane; phosphotungstic acid In 1-methyl-pyrrolidin-2-one at 20℃; for 24h; Aldol reaction; optical yield given as %ee; enantioselective reaction;	97%

: 96-26-4
dihydroxyacetone

: 112-67-4
n-hexadecanoyl chloride

: 24472-45-5
1,3-dipalmitoyloxy-2-propanone

Conditions

Conditions	Yield
With pyridine In chloroform at 20℃; for 48h;	96%
With pyridine In dichloromethane at 20℃; for 16h; Inert atmosphere;	95%
With pyridine In dichloromethane at 20℃; for 16h; Inert atmosphere;	95%

: 96-26-4
dihydroxyacetone

: 18162-48-6
tert-butyldimethylsilyl chloride

: 127382-65-4
1,3-bis-O-(tert-butyldimethylsilyl)-1,3-dihydroxy-2-propanone

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 0 - 30℃;	96%
With triethylamine In dichloromethane at 20℃; for 24h; silylation;	95%
With dmap; triethylamine In dichloromethane at 25℃;	92%

: 96-26-4
dihydroxyacetone

: 555-16-8
4-nitrobenzaldehdye

: (3R,4S)-1,3,4-trihydroxy-4-(4-nitrophenyl)butan-2-one

Conditions

Conditions	Yield
With (2S,3R)-O-(n-octanoyl)-L-threonine In 1-methyl-pyrrolidin-2-one; water at 20℃; for 30h; Aldol addition; optical yield given as %ee; enantioselective reaction;	96%
With (+)-(S)-2-amino-1-phenyl-3-(pyrrolidin-1-yl)propane; phosphotungstic acid In 1-methyl-pyrrolidin-2-one at 20℃; for 24h; Aldol reaction; optical yield given as %ee; enantioselective reaction;	95%

: 96-26-4
dihydroxyacetone

: 124-40-3
dimethyl amine

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

Conditions

Conditions	Yield
With Cu/Al2O3; dihydrogen peroxide In water at 25℃; for 24h; Green chemistry;	96%

: 14694-95-2
Wilkinson's catalyst

: 96-26-4
dihydroxyacetone

A: 15318-33-9, 16353-77-8, 13938-94-8
chlorocarbonylbis(triphenylphosphine)rhodium(I)

B: 34557-54-5
methane

Conditions

Conditions	Yield
In further solvent(s) argon-filled glovebox, heating 7.5h at 130°C, cooling to room temp.; gas phase was sampled and analyzed by GC and GC-MS, liquid phase was analyzed by IR;	A 85% B 95%

...Expand

: 96-26-4
dihydroxyacetone

: 100-61-8
N-methylaniline

: 93-61-8
N-methyl-N-phenylformamide

Conditions

Conditions	Yield
With Cu/Al2O3; dihydrogen peroxide In water at 50℃; for 12h; Green chemistry;	95%

: 96-26-4
dihydroxyacetone

: 111-64-8
n-octanoic acid chloride

: 59925-18-7
2-oxopropane-1,3-diyl dioctanoate

Conditions

Conditions	Yield
With pyridine In chloroform at 20℃; for 48h;	94%
Stage #1: dihydroxyacetone With pyridine; dmap In dichloromethane for 0.0833333h; Stage #2: n-octanoic acid chloride In dichloromethane at 0 - 20℃; for 16h;	73%
Stage #1: dihydroxyacetone With pyridine; dmap In dichloromethane for 0.0833333h; Cooling with ice; Stage #2: n-octanoic acid chloride In dichloromethane at 0 - 20℃; for 16h;	73%
With pyridine In chloroform at 25℃; for 3h; Inert atmosphere;

: 96-26-4
dihydroxyacetone

: 2043-61-0
cyclohexanecarbaldehyde

: rac-(2R,6R)-2,6-dicyclohexyl-4-hydroxymethyl-(1,3)-dioxane-(4S,5S)-4,5-diol

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine at 20℃;	94%

: 96-26-4
dihydroxyacetone

: 106-47-8
4-chloro-aniline

: 2617-79-0
N-(4-chlorophenyl)formamide

Conditions

Conditions	Yield
With Cu/Al2O3; dihydrogen peroxide In water at 50℃; for 12h; Green chemistry;	94%

: 96-26-4
dihydroxyacetone

: 51673-84-8
dimethoxyacetaldehyde

: C7H13O9P(1-)

Conditions

Conditions	Yield
With acetic acid phosphoric acid-anhydride; fuculose-1-phosphate aldolase; ATP; acetate kinase; Citrobacter freundii dihydroxyacetone kinase In various solvent(s) pH=7.5;	93.5%

: 96-26-4
dihydroxyacetone

: 99-56-9
4-Nitrophenylene-1,2-diamine

: 1292785-77-3
2,2-bis(hydroxymethyl)-5-nitro-2,3-dihydro-1H-benzo[d]imidazole

Conditions

Conditions	Yield
at 50℃; for 0.5h; Neat (no solvent); grinding;	93%

: 96-26-4
dihydroxyacetone

: 62-53-3
aniline

: 103-70-8
Formanilid

Conditions

Conditions	Yield
With Cu/Al2O3; dihydrogen peroxide at 50℃; for 12h; Catalytic behavior; Reagent/catalyst; Green chemistry;	93%

: 96-26-4
dihydroxyacetone

: 56-82-6
Glyceraldehyde

A: 453-17-8
D-Glyceraldehyde

B: 57-48-7, 87-79-6, 87-81-0, 551-68-8, 3615-39-2, 3615-56-3, 6035-50-3, 7776-48-9, 16354-64-6, 17598-81-1, 17598-82-2, 23140-52-5, 30237-26-4, 65732-90-3, 73952-10-0, 73952-11-1, 139686-85-4
L-fructose

Conditions

Conditions	Yield
With E. coli BL21 (DE3) cells harboring pETDRhaD aldolase; sodium borate buffer In water; toluene at 37℃; for 16h; pH=7.6;	A n/a B 92%

...Expand

: 96-26-4
dihydroxyacetone

: 78-84-2
isobutyraldehyde

: rac-4-hydroxymethyl-(2R,6R)-2,6-diisopropyl-(1,3)-dioxane-(4S,5S)-4,5-diol

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine at 20℃;	92%

: 96-26-4
dihydroxyacetone

: 34446-64-5, 42996-84-9
(E)-3-(4-methoxyphenyl)propenoyl chloride

: 1,3-bis-[(E)-3-(4-methoxyphenyl)-2-propenoyloxy]-2-oxopropane

Conditions

Conditions	Yield
With dmap In pyridine at 20 - 100℃; for 1h; Product distribution / selectivity;	92%

: 455-19-6
4-Trifluoromethylbenzaldehyde

: 96-26-4
dihydroxyacetone

: 1114542-29-8
(3R,4S)-4-(4-(trifluoromethyl)phenyl)-1,3,4-trihydroxybutan-2-one

Conditions

Conditions	Yield
With (+)-(S)-2-amino-1-phenyl-3-(pyrrolidin-1-yl)propane; phosphotungstic acid In 1-methyl-pyrrolidin-2-one at 20℃; for 36h; Aldol reaction; optical yield given as %ee; enantioselective reaction;	92%

1,3-Dihydroxyacetone Consensus Reports

Reported in EPA TSCA Inventory.

1,3-Dihydroxyacetone Specification

1,3-Dihydroxyacetone,with the CAS registry number 96-26-4, is also named as Dihydroxyacetone; 2-Propanone, 1,3-dihydroxy; Chromelin. The product's categories are ketones and organic materials. In addition, it is white powder which is stable, combustible and hygroscopic. Thic chemical has a sweet cooling taste and a characteristic odor. But, people should avoid contact with skin and eyes.

Physical properties about 1,3-Dihydroxyacetone are: (1)ACD/LogP: -0.779; (2)ACD/LogD (pH 5.5): -0.78; (3)ACD/LogD (pH 7.4): -0.78; (4)ACD/BCF (pH 5.5): 1.00 ; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 8.98; (7)ACD/KOC (pH 7.4): 8.98; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 19.047 cm³; (13)Molar Volume: 70.187 cm³; (14)Polarizability: 7.551 10-24cm³; (15)Surface Tension: 53.7389984130859 dyne/cm; (16)Density: 1.283 g/cm³; (17)Flash Point: 97.331 °C; (18)Enthalpy of Vaporization: 52.34 kJ/mol; (19)Boiling Point: 213.704 °C at 760 mmHg; (20)Vapour Pressure: 0.0359999984502792 mmHg at 25°C

Preparation of 1,3-Dihydroxyacetone: It can be obtained by formaldehyde with calcium carbonate.

Uses of 1,3-Dihydroxyacetone: It is an ingredient of suntan lotion that creates an artificial tan. It is also valuable as a chemical intermediate and as a catalyst in butadiene-styrene olymerization. This chemical is also can be used in organic synthesis. For example: It can react with (chloromethoxy-methyl)-benzene to get 1,3-bis[(benzyloxy)methoxy]-2-propanone. This reaction needs reagent diisopropylethylamine and solvent CH₂Cl₂ at ambient temperature. The reaction time is 24 hours. The yield is 79.3%.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(CO)CO;
2. InChI: InChI=1/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2.

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
rabbit	LD	intraperitoneal	> 8gm/kg (8000mg/kg)	United States Patent Document. Vol. #4049795,
rat	LD50	intraperitoneal	8750mg/kg (8750mg/kg)	United States Patent Document. Vol. #4049795,
rat	LDLo	oral	80gm/kg (80000mg/kg)	United States Patent Document. Vol. #4049795,

Product Name

1,3-Dihydroxyacetone

Synthetic route

1,3-Dihydroxyacetone Consensus Reports

1,3-Dihydroxyacetone Specification

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