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244761-29-3

Basic Information
CAS No.: 244761-29-3
Name: Lithium bis(oxalate)borate
Article Data: 13
Molecular Structure:
Molecular Structure of 244761-29-3 (Lithium bis(oxalate)borate)
Formula: C4BLiO8
Molecular Weight: 193.791
Synonyms: Borate(1-),bis[ethanedioato(2-)-kO1,kO2]-, lithium, (T-4)- (9CI);Lithium bis(oxalato)borate;Lithium bis(oxalato)borate(1-);
Melting Point: >300°C (lit.)
Solubility: 1015g/L at 20℃
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26
PSA: 105.20000
LogP: -2.37800
Synthetic route
14720-30-0

boron fluoridedichloride

244761-29-3

lithium bis[1,2-oxalato(2-)-O,O'] borate

Conditions
ConditionsYield
In 1,4-dioxane at 30℃; under 0 Torr; for 3h; Flow reactor;99.2%

lithium tetrafluoroborate

silicon dimethyl oxalate

244761-29-3

lithium bis[1,2-oxalato(2-)-O,O'] borate

Conditions
ConditionsYield
In acetonitrile at 43 - 57℃; for 11h; Inert atmosphere;98.8%
409071-16-5

lithium difluoromono[1,2-oxalato(2-)-O,O'] borate

244761-29-3

lithium bis[1,2-oxalato(2-)-O,O'] borate

Conditions
ConditionsYield
With 1,1,2,2-tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane; 2,3-(4-formylbenzo)-1,4,7,10-tetraoxa-2-cyclododecene; 10-benzyl-1,4,7-trioxa-10-azacyclododecane at 90℃; under 900.09 Torr; for 5h; Inert atmosphere;93%
18294-04-7

bis(trimethylsilyl)ethanedioic acid ester

244761-29-3

lithium bis[1,2-oxalato(2-)-O,O'] borate

Conditions
ConditionsYield
With lithium tetramethanolatoborate In acetonitrile at 45 - 50℃;92%
1310-66-3

lithium hydroxide monohydrate

18546-66-2

tris-(triethylsilyl)-borate

144-62-7

oxalic acid

244761-29-3

lithium bis[1,2-oxalato(2-)-O,O'] borate

Conditions
ConditionsYield
Stage #1: lithium hydroxide monohydrate; oxalic acid In tetrahydrofuran for 2h; Reflux;
Stage #2: tris-(triethylsilyl)-borate at 150℃; for 1h;
83.3%
1310-66-3

lithium hydroxide monohydrate

4325-85-3

tris(trimethylsilyl)borate

144-62-7

oxalic acid

244761-29-3

lithium bis[1,2-oxalato(2-)-O,O'] borate

Conditions
ConditionsYield
Stage #1: lithium hydroxide monohydrate; oxalic acid In N,N-dimethyl-formamide at 100℃; for 1h;
Stage #2: tris(trimethylsilyl)borate at 120℃; for 6h; Solvent; Temperature;
83.1%
383189-04-6

tris(dimethylvinylsilyl) borate

144-62-7

oxalic acid

554-13-2

lithium carbonate

244761-29-3

lithium bis[1,2-oxalato(2-)-O,O'] borate

Conditions
ConditionsYield
Stage #1: oxalic acid; lithium carbonate With 1,2-propylene cyclic carbonate at 200℃; for 1h;
Stage #2: tris(dimethylvinylsilyl) borate at 250℃; for 2h;
81.9%
1310-66-3

lithium hydroxide monohydrate

11113-50-1

boric acid

144-62-7

oxalic acid

244761-29-3

lithium bis[1,2-oxalato(2-)-O,O'] borate

Conditions
ConditionsYield
Stage #1: lithium hydroxide monohydrate; boric acid; oxalic acid for 1h; Milling;
Stage #2: at 240℃; for 6h; Temperature;
79.5%
In water at 80 - 85℃; for 24h; Solvent;72%

boron trifluoride dimethyl carbonate complex

144-62-7

oxalic acid

lithium fluoride

244761-29-3

lithium bis[1,2-oxalato(2-)-O,O'] borate

Conditions
ConditionsYield
Stage #1: boron trifluoride dimethyl carbonate complex; lithium fluoride In dimethyl sulfoxide at 90℃; for 7h; Inert atmosphere;
Stage #2: oxalic acid With tetrachlorosilane In dimethyl sulfoxide at 20 - 150℃; for 25h; Solvent; Temperature; Reagent/catalyst; Inert atmosphere;
60%
144-62-7

oxalic acid

244761-29-3

lithium bis[1,2-oxalato(2-)-O,O'] borate

Conditions
ConditionsYield
With lithium hydroxide; boric acid
With lithium hydroxide; boric acid at 179.84℃; for 2h;
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Specification

The Lithium bis(oxalate)borate, with the CAS registry number 244761-29-3, is also known as Acetic acid, 2,2'-[(hydroxyborylene)didioxy]bis[2-oxo-, lithium salt (1:3). This chemical's molecular formula is C4BLiO8 and molecular weight is 193.79. What's more, its systematic name is called Trilithium 2,2'-[(oxidoboranediyl)didioxy]bis(oxoacetate). This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about Lithium bis(oxalate)borate are: (1) #H bond acceptors: 11; (2) #H bond donors: 3; (3) #Freely Rotating Bonds: 9; (4) Polar Surface Area: 174.38 Å2

You can still convert the following datas into molecular structure:
(1) SMILES: [Li+].[Li+].[Li+].O=C(OOB([O-])OOC(=O)C([O-])=O)C([O-])=O
(2) InChI: InChI=1/C4H2BO11.3Li/c6-1(7)3(10)13-15-5(12)16-14-4(11)2(8)9;;;/h(H,6,7)(H,8,9);;;/q-1;3*+1/p-2
(3) InChIKey: JTIFZKXQGWPTGY-NUQVWONBAS