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| CAS No.: | 87-92-3 |
|---|---|
| Name: | L-(+)-TARTARIC ACID DI-N-BUTYL ESTER |
| Molecular Structure: | |
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| Formula: | C12H22O6 |
| Molecular Weight: | 262.303 |
| Synonyms: | Butanedioicacid, 2,3-dihydroxy- (2R,3R)-, dibutyl ester (9CI);Butanedioic acid,2,3-dihydroxy- [R-(R*,R*)]-, dibutyl ester;Tartaric acid, dibutyl ester(6CI,7CI,8CI);(+)-Dibutyl tartrate;(+)-Tartaric acid dibutyl ester;(2R,3R)-Di-n-butyl tartrate;(2R,3R)-Dibutyl tartrate;Dibutyl (+)-L-tartrate;Dibutyl (R,R)-tartrate;Dibutyl L-(+)-tartrate;Dibutyl L-tartrate;Dibutyltartrate;ENT 396;L-(+)-Tartaric acid dibutyl ester; |
| EINECS: | 201-784-9 |
| Density: | 1.09 g/cm3 |
| Melting Point: | 20-22 °C |
| Boiling Point: | 182 °C (11 mmHg) |
| Flash Point: | 167 °C |
| Solubility: | 4.827g/L(temperature not stated) |
| Appearance: | clear colourless to yellowish liquid after melting |
| Safety: | 24/25 |
| PSA: | 93.06000 |
| LogP: | 0.39480 |
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| Conditions | Yield |
|---|---|
| With H+ resin; Zerolit 225 In benzene for 8h; Heating; | 68% |
| With thionyl chloride |
| Conditions | Yield |
|---|---|
| durch Destillation; |
- 622-00-4
dibenzyl (2R,3R)-2,3-dihydroxybutanedioate
- 71-36-3
butan-1-ol
- 87-92-3
(+)-(2R,3R)-dibutyl tartrate
| Conditions | Yield |
|---|---|
| In various solvent(s) at 39℃; for 24h; lipase from Pseudomonas fluorescens; | 86.2 % Spectr. |
- 87-92-3
(+)-(2R,3R)-dibutyl tartrate
| Conditions | Yield |
|---|---|
| With boric acid; potassium hydrogencarbonate In water at 20℃; Heating; | 100% |
- 87-92-3
(+)-(2R,3R)-dibutyl tartrate
- 79-04-9
chloroacetyl chloride
- 226710-53-8
(2R,3R)-2,3-Bis-(2-chloro-acetoxy)-succinic acid dibutyl ester
| Conditions | Yield |
|---|---|
| With pyridine In chloroform for 5h; Ambient temperature; | 84.6% |
- 87-92-3
(+)-(2R,3R)-dibutyl tartrate
- 108549-23-1
Dibenzyl N,N-diisopropylphosphoramidite
- 1610451-59-6
dibutyl-2,3-bis(dibenzylphospho)-L-tartrate
| Conditions | Yield |
|---|---|
| Stage #1: (+)-(2R,3R)-dibutyl tartrate; Dibenzyl N,N-diisopropylphosphoramidite With 1H-tetrazole at 20℃; for 24h; Stage #2: With 3-chloro-benzenecarboperoxoic acid at -40 - 20℃; for 12h; | 84% |
- 87-92-3
(+)-(2R,3R)-dibutyl tartrate
- 2700-47-2
6-methoxy-2-propionylnaphthalene
- 105785-45-3
(4R,5R)-2-ethyl-2-(6-methoxy-2-naphthyl)-1,3-dioxolane-4,5-dicarboxylic acid di-n-butyl ester
| Conditions | Yield |
|---|---|
| With methanesulfonic acid; Tributyl orthoformate at 100℃; for 1h; | 80% |
| Conditions | Yield |
|---|---|
| In diethyl ether; dichloromethane elem. anal.; | 76% |
- 87-92-3
(+)-(2R,3R)-dibutyl tartrate
| Conditions | Yield |
|---|---|
| With pyridine; phosphorus trichloride In diethyl ether at 0℃; for 6h; | 54% |
| Conditions | Yield |
|---|---|
| With sodium periodate In water for 40h; | 50% |
| With sodium periodate | |
| With lead(IV) acetate; benzene | |
| With sodium periodate In water; isopropyl alcohol Heating; |
- Total:34 Page 1 of 1 1
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Specification
The Dibutyl L-(+)-tartrate, with the CAS registry number 87-92-3, is also known as Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dibutyl ester and Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, dibutyl ester. Its EINECS number is 201-784-9. This chemical's molecular formula is C12H22O6 and formula weight is 262.3. What's more, both its IUPAC name and systematic name are the same which is called Dibutyl 2,3-dihydroxybutanedioate. This chemical is clear colourless to yellowish liquid after melting.
Physical properties about this chemical are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 13; (6)Polar Surface Area: 71.06 Å2; (7)Index of Refraction: 1.471; (8)Molar Refractivity: 64.18 cm3; (9)Molar Volume: 229.3 cm3; (10)Surface Tension: 42.9 dyne/cm; (11)Density: 1.143 g/cm3; (12)Flash Point: 119.2 °C; (13)Enthalpy of Vaporization: 65.1 kJ/mol; (14)Boiling Point: 320 °C at 760 mmHg; (15)Melting Point: 20-22 °C; (16)Vapour Pressure: 2.66E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC(=O)C(C(C(=O)OCCCC)O)O
(2)InChI: InChI=1S/C12H22O6/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10,13-14H,3-8H2,1-2H3
(3)InChIKey: PCYQQSKDZQTOQG-UHFFFAOYSA-N