Dibenzyl oxalate supplier | CasNO.7579-36-4

Name
Dibenzyl oxalate
EINECS 411-720-3
CAS No. 7579-36-4
Article Data22
CAS DataBase
Density 1.212g/cm³
Solubility
Melting Point 80-82 °C(lit.)
Formula C₁₆H₁₄O₄
Boiling Point 365.1 °C at 760 mmHg
Molecular Weight 270.285
Flash Point 188.8 °C
Transport Information
Appearance White flaked crystalline solid
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Ethanedioicacid, bis(phenylmethyl) ester (9CI);Oxalic acid, dibenzyl ester (7CI,8CI);Benzyl oxalate;Dibenzyl oxalate;HS 2046;NSC 52550;
PSA 52.60000
LogP 2.47320

Synthetic route

: 79-37-8
oxalyl dichloride

: 100-51-6
benzyl alcohol

: 7579-36-4
dibenzyl oxalate

Conditions

Conditions	Yield
In chloroform at 20℃; for 2h;	79%
In toluene Heating;	57%

: 144-62-7
oxalic acid

: benzyldimethyl-2-hydroxyethyl-ammonium chloride

: 7579-36-4
dibenzyl oxalate

Conditions

Conditions	Yield
With urea at 140℃; for 2h; Green chemistry;	79%

: 553-90-2
Dimethyl oxalate

: 100-44-7
benzyl chloride

: 7579-36-4
dibenzyl oxalate

Conditions

Conditions	Yield
With sodium hydroxide; tributyl-amine at 150℃;

: 95-92-1
oxalic acid diethyl ester

: 100-51-6
benzyl alcohol

: 7579-36-4
dibenzyl oxalate

: 3155-16-6
diphenyl oxalate

: 100-51-6
benzyl alcohol

: 7579-36-4
dibenzyl oxalate

: 144-62-7
oxalic acid

: 100-51-6
benzyl alcohol

: 7579-36-4
dibenzyl oxalate

: 583-52-8
potassium oxalate

: 100-44-7
benzyl chloride

A: 7579-36-4
dibenzyl oxalate

B: 103-50-4
dibenzyl ether

C polybenzyl: polybenzyl

Conditions

Conditions	Yield
at 200 - 250℃;

...Expand

: 100-44-7
benzyl chloride

silver oxalate: silver oxalate

: 7579-36-4
dibenzyl oxalate

: 95-92-1
oxalic acid diethyl ester

sodium benzylate: sodium benzylate

: 7579-36-4
dibenzyl oxalate

Conditions

Conditions	Yield
With benzyl alcohol

: 79-37-8
oxalyl dichloride

: 100-51-6
benzyl alcohol

A: 7579-36-4
dibenzyl oxalate

B: 35249-73-1
benzyl chlorooxalate

...Expand

: 7579-36-4
dibenzyl oxalate

: 458-77-5
benzyl 2-fluoroacetate

: D,L-dibenzyl 2-fluoro-3-oxosuccinate

Conditions

Conditions	Yield
Stage #1: dibenzyl oxalate With sodium hydride In toluene for 0.25h; Cooling with ice; Stage #2: benzyl 2-fluoroacetate In toluene at 20℃; Heating;	91.2%

: 7579-36-4
dibenzyl oxalate

: 1147550-11-5
ammonium thiocyanate

: 109-73-9
N-butylamine

: 1-butyl-2-thioxoimidazolidine-4,5-dione

Conditions

Conditions	Yield
Stage #1: dibenzyl oxalate; ammonium thiocyanate With phosphotungstic acid In isopropyl alcohol at 85℃; for 0.5h; Stage #2: N-butylamine In isopropyl alcohol at 85℃;	90%

...Expand

: 120-72-9
indole

: 7579-36-4
dibenzyl oxalate

: 3377-71-7
N-benzylindole

Conditions

Conditions	Yield
With potassium tert-butylate In N,N-dimethyl-formamide for 3h; Heating;	86%

: 7579-36-4
dibenzyl oxalate

: 86-74-8
9H-carbazole

: 19402-87-0
9-benzyl-9H-carbazole

Conditions

Conditions	Yield
With potassium tert-butylate In N,N-dimethyl-formamide for 0.5h; Heating;	86%

: 7579-36-4
dibenzyl oxalate

: 13291-18-4
isopropenylmagnesium bromide

: 20077-60-5
Benzyl 3-methyl-2-oxo-3-butenoate

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether at -60℃;	82%

: 389844-44-4
(+)-2-methyl-4-phenyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline

: 7579-36-4
dibenzyl oxalate

: 389844-47-7
C25H24N2

Conditions

Conditions	Yield
With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 3h; Heating / reflux;	80%

: 7579-36-4
dibenzyl oxalate

: 55854-60-9
1-methoxymethyl-β-carboline

: C22H16N2O3

Conditions

Conditions	Yield
at 160℃; for 7.5h;	77%

: 486-84-0
harmane

: 7579-36-4
dibenzyl oxalate

: 96405-71-9
3-Benzyl-3H-indolo[3,2,1-de][1,5]naphthyridine-5,6-dione

Conditions

Conditions	Yield
at 160℃;	65%
at 155℃; for 8h;	42%

: 22314-96-1
1-propyl-9H-pyrido[3,4-b]indole

: 7579-36-4
dibenzyl oxalate

: 96405-72-0
3-Benzyl-4-ethyl-3H-indolo[3,2,1-de][1,5]naphthyridine-5,6-dione

Conditions

Conditions	Yield
at 160℃; for 10h;	64%

: 3589-72-8
6-methoxyharman

: 7579-36-4
dibenzyl oxalate

: C22H16N2O3

Conditions

Conditions	Yield
at 160℃; for 7.5h;	58%

: 5162-44-7
1-bromo-4-butene

: 7579-36-4
dibenzyl oxalate

: 1169951-08-9
benzyl 2-oxohex-5-enoate

Conditions

Conditions	Yield
Stage #1: 1-bromo-4-butene With magnesium; ethylene dibromide In tetrahydrofuran at 70℃; for 0.5h; Inert atmosphere; Stage #2: dibenzyl oxalate In tetrahydrofuran; dichloromethane at -40 - -10℃; Inert atmosphere; Stage #3: With water; ammonium chloride In tetrahydrofuran; dichloromethane Inert atmosphere;	55%
Stage #1: 1-bromo-4-butene With iodine; magnesium In tetrahydrofuran at 70℃; for 2h; Schlenk technique; Inert atmosphere; Stage #2: dibenzyl oxalate In tetrahydrofuran; dichloromethane at -40 - -10℃; Schlenk technique; Inert atmosphere;

: 2635-13-4
1,2-(methylenedioxy)-4-bromobenzene

: 7579-36-4
dibenzyl oxalate

: 1449336-19-9
benzyl 2-(benzo[d][1,3]dioxol-5-yl)-2-oxoacetate

Conditions

Conditions	Yield
Stage #1: 1,2-(methylenedioxy)-4-bromobenzene With magnesium In tetrahydrofuran at 20℃; for 1h; Stage #2: dibenzyl oxalate In tetrahydrofuran at -78 - -40℃; for 4.5h; Inert atmosphere;	53%

: 7579-36-4
dibenzyl oxalate

: 591-17-3
meta-bromotoluene

: 1449336-18-8
C16H14O3

Conditions

Conditions	Yield
Stage #1: meta-bromotoluene With magnesium In tetrahydrofuran at 20℃; for 1h; Stage #2: dibenzyl oxalate In tetrahydrofuran at -78 - -40℃; for 4.5h; Inert atmosphere;	42%

: 59-48-3
2-oxoindole

: 7579-36-4
dibenzyl oxalate

: 14370-71-9
(E)-2-hydroxy-2-(2-oxoindolin-3-ylidene)acetic acid

Conditions

Conditions	Yield
With sodium for 22h; 3 mol equiv. of sodium;	40%

: 7579-36-4
dibenzyl oxalate

: 1-(2-bromophenyl)-2,5-dihydro-1H-pyrrole

: benzyl 2-(2-(2,5-dihydro-1H-pyrrol-1-yl)phenyl)-2-oxoacetate

Conditions

Conditions	Yield
Stage #1: 1-(2-bromophenyl)-2,5-dihydro-1H-pyrrole With n-butyllithium In tetrahydrofuran; hexane at -78 - -50℃; for 0.5h; Stage #2: dibenzyl oxalate In tetrahydrofuran; hexane at -78℃; for 2h;	35%

: 6793-92-6
p-benzyloxyphenylbromide

: 7579-36-4
dibenzyl oxalate

: 76529-99-2
benzyl glyoxylate

Conditions

Conditions	Yield
Stage #1: p-benzyloxyphenylbromide With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Stage #2: dibenzyl oxalate In tetrahydrofuran; hexane at -78 - 0℃; for 4h; Further stages.;	30%

: 7579-36-4
dibenzyl oxalate

: C14H14N2O2

: C23H18N2O4

Conditions

Conditions	Yield
at 160℃; for 7.5h;	27%

: 59-48-3
2-oxoindole

: 7579-36-4
dibenzyl oxalate

: 65112-89-2
(2-oxo-indolin-3-yl)-glyoxylic acid benzyl ester

Conditions

Conditions	Yield
With sodium ethanolate

: 7579-36-4
dibenzyl oxalate

: 35454-01-4
benzyl 2-amino-2-oxoacetate

Conditions

Conditions	Yield
With ammonia; benzyl alcohol

: 7579-36-4
dibenzyl oxalate

: 803-97-4
3-<1-Oxo-5-chlor-8-methoxy-1,2,3,4-tetrahydro-naphthyl-(3)>-propionsaeure-benzylester

: 17797-79-4
<1-Hydroxy-5-chlor-8-methoxy-9-oxo-3,3a,4,9-tetrahydro-2H-benz(f)-indenyliden-(2)>-glykolsaeurebenzylester

Conditions

Conditions	Yield
With sodium hydride

: 7579-36-4
dibenzyl oxalate

: 35448-14-7
2-(benzyloxy)-2-oxoacetic acid

Conditions

Conditions	Yield
(i) Et3N, (ii) aq. HCl; Multistep reaction;

: 24400-75-7
ethylene-cetal de la bromo-5 pentanone-2

: 7579-36-4
dibenzyl oxalate

: 90741-55-2
benzyl-5-(2-methyl-1,3-dioxolan-2-yl)-2-oxopentanoate

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: 59-48-3
2-oxoindole

: 7579-36-4
dibenzyl oxalate

: 110655-07-7
Hydroxy-[2-oxo-1,2-dihydro-indol-(3E)-ylidene]-acetic acid benzyl ester

Conditions

Conditions	Yield
With sodium hydride 1.) THF, 1.25 h; 2.) THF, 25 deg C, 3 h; Multistep reaction;

: 7579-36-4
dibenzyl oxalate

: 100044-49-3
(+/-)-1-(tert-butyldimethylsilyl)-4-<((ethoxycarbonyl)methyl)thio>-3-ethyl-2-azetidinone

: 100044-50-6
2-[(2R,3S)-1-(tert-Butyl-dimethyl-silanyl)-3-ethyl-4-oxo-azetidin-2-ylsulfanyl]-3-oxo-succinic acid 4-benzyl ester 1-ethyl ester

Conditions

Conditions	Yield
With lithium hexamethyldisilazane 1.) THF, -78 deg C, 0.1 h, 2.) THF, RT, 2 h; Yield given. Multistep reaction;

: 7579-36-4
dibenzyl oxalate

: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
electrolysis;	34 % Spectr.

Dibenzyl oxalate Specification

The Ethanedioic acid,1,2-bis(phenylmethyl) ester, with CAS registry number 7579-36-4, belongs to the following product categories: (1)C12 to C63; (2)Carbonyl Compounds; (3)Esters. It has the systematic name of ethanedioic acid diammoniate hydrate. This chemical is a kind of white flaked crystalline solid.

Physical properties of Ethanedioic acid,1,2-bis(phenylmethyl) ester: (1)ACD/LogP: -1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.7; (4)ACD/LogD (pH 7.4): -5.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.6 Å²; (13)Enthalpy of Vaporization: 67.15 kJ/mol; (14)Vapour Pressure: 2.51E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Ethanedioic acid,1,2-bis(phenylmethyl) ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(=O)O.O.N.N
(2)InChI: InChI=1/C2H2O4.2H3N.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);2*1H3;1H2
(3)InChIKey: MSMNVXKYCPHLLN-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C2H2O4.2H3N.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);2*1H3;1H2
(5)Std. InChIKey: MSMNVXKYCPHLLN-UHFFFAOYSA-N

Product Name

Dibenzyl oxalate

Synthetic route

Dibenzyl oxalate Specification

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