Products Categories
| CAS No.: | 6289-46-9 |
|---|---|
| Name: | 2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H12O6 |
| Molecular Weight: | 228.202 |
| Synonyms: | 1,4-Cyclohexanedicarboxylicacid, 2,5-dioxo-, dimethyl ester (7CI,8CI,9CI);Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate;Dimethyl succinosuccinate;NSC 122567;NSC 5670;Succinosuccinic acid dimethyl ester; |
| EINECS: | 228-528-9 |
| Density: | 1.306 g/cm3 |
| Melting Point: | 154-157 °C |
| Boiling Point: | 350.5 °C at 760 mmHg |
| Flash Point: | 156.1 °C |
| Solubility: | Soluble in water 0.0016 g/L. |
| Appearance: | white to light yellow-green fine crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26-24/25 |
| PSA: | 86.74000 |
| LogP: | -0.50320 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene In methanol at 60 - 80℃; for 2h; Temperature; | 95% |
| With sodium methylate at 140 - 145℃; for 3.5h; Temperature; Inert atmosphere; | 86.42% |
| With sodium methylate In methanol for 20h; | 65% |
- 124-41-4
sodium methylate
- 106-65-0
Dimethyl succinate
- 6289-46-9
dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
| Conditions | Yield |
|---|---|
| at 100℃; for 6h; Claisen Condensation; Inert atmosphere; | 75.4% |
- 67-56-1
methanol
- 124-41-4
sodium methylate
- 106-65-0
Dimethyl succinate
- 6289-46-9
dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
| Conditions | Yield |
|---|---|
| With sulfuric acid In water | 68% |
- 32807-28-6
Methyl 4-chloroacetoacetate
A
- 6289-46-9
dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
B
- 261963-22-8
(-)-3-oxo-4-[(R)-(phenyl)(phenylmethoxycarbonylamino)acetoxy]butanoic acid methyl ester
| Conditions | Yield |
|---|---|
| With potassium iodide In N,N-dimethyl-formamide at 20℃; for 5h; Condensation; esterification; cyclisation; | A n/a B 65% |
- 32807-28-6
Methyl 4-chloroacetoacetate
- 6289-46-9
dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
| Conditions | Yield |
|---|---|
| With potassium carbonate In dimethyl sulfoxide at 20 - 60℃; for 13h; | 52% |
- 67-56-1
methanol
- 124-41-4
sodium methylate
- 123-25-1
succinic acid diethyl ester
A
- 110-15-6
succinic acid
B
- 6289-46-9
dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
| Conditions | Yield |
|---|---|
| bei laengerem Erhitzen; |
- 79-20-9
acetic acid methyl ester
- 106-65-0
Dimethyl succinate
- 6289-46-9
dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
| Conditions | Yield |
|---|---|
| With sodium at 90 - 100℃; |
- 32807-28-6
Methyl 4-chloroacetoacetate
A
- 17609-52-8
Z-D-phenylglycine
B
- 6289-46-9
dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide Ambient temperature; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: bromine / 0.5 h 2: potassium carbonate / ethanol View Scheme |
| Conditions | Yield |
|---|---|
| With potassium carbonate In ethanol |
- 629-04-91-Bromoheptane
- 629-15-21,2-Diformyloxyethane
- 6291-65-2Dipotassium methanedisulfonate
- 6291-84-5N-METHYL-1,3-PROPANEDIAMINE
- 629-22-1DL-A-HYDROXYSTEARIC ACID
- 62932-90-52-Chloro-3'-hydroxyacetophenone
- 6296-53-3Acetamide,N-(1,3-dihydro-1,3-dioxo-4-isobenzofuranyl)-
- 62968-45-0Benzenehexathiol
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Specification
The IUPAC name of Dimethyl succinylo succinate is dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate. With the CAS registry number 6289-46-9, it is also named as Succinosuccinic acid, dimethyl ester. The product's categorie is pharmaceutical intermediates. It is white to light yellow-green fine crystalline powder.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.87; (8)ACD/KOC (pH 7.4): 17.47; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 49.83 cm3; (14)Molar Volume: 174.6 cm3; (15)Polarizability: 19.75×10-24 cm3; (16)Surface Tension: 47.3 dyne/cm; (17)Enthalpy of Vaporization: 59.51 kJ/mol; (18)Vapour Pressure: 4.38E-05 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Tautomer Count: 15; (21)Exact Mass: 228.063388; (22)MonoIsotopic Mass: 228.063388; (23)Topological Polar Surface Area: 86.7; (24)Heavy Atom Count: 16; (25)Complexity: 311.
Preparation of Dimethyl succinylo succinate: It can be obtained by succinic acid dimethyl ester. This reaction needs reagent sodium methylate
dioxane.
.gif)
Uses of Dimethyl succinylo succinate: It is used in the production of pigments such as Pigment Red 122 and Pigment Violet 19. It also can react with 2,4-diamino-phenol to get 2,5-bis-(3-amino-4-hydroxy-phenylamino)-cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester. This reaction needs reagent N-ethylpiperidine at temperature of 105 °C. The reaction time is 7 hours. The yield is 80%.
.gif)
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)C1C(=O)CC(C(=O)C1)C(=O)OC
2. InChI:InChI=1/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h5-6H,3-4H2,1-2H3
3. InChIKey:MHKKFFHWMKEBDW-UHFFFAOYAT