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Cas Database |
| Name |
Pentanedioicacid, 2-bromo- |
EINECS | N/A |
| CAS No. | 51528-22-4 | Density | 1.853 g/cm3 |
| PSA | 74.60000 | LogP | 0.69930 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H7BrO4 | Boiling Point | 331.776 °C at 760 mmHg |
| Molecular Weight | 211.012 | Flash Point | 154.453 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
a-Bromoglutaric acid; |
Article Data | 6 |
Pentanedioicacid, 2-bromo- Synthetic route
- 56-86-0
L-glutamic acid
- 51528-22-4
2-bromopentanedioic acid
| Conditions | Yield |
|---|---|
| With hydrogen bromide; potassium bromide; sodium nitrite In water at -15 - 20℃; for 3h; | 42% |
| With sulfuric acid; sodium bromide; sodium nitrite In water at 0℃; for 0.333333h; | 40% |
| With hydrogen bromide; potassium bromide; sodium nitrite In water for 2h; Cooling with ice; |
- 617-65-2
Glutamic acid
- 51528-22-4
2-bromopentanedioic acid
| Conditions | Yield |
|---|---|
| With hydrogen bromide; sodium bromide; sodium nitrite In water for 7.5h; | |
| Stage #1: Glutamic acid With hydrogen bromide; sodium bromide; sodium nitrite at -5 - 0℃; for 2.83333h; Stage #2: With sulfuric acid |
- 98-00-0
(2-furyl)methyl alcohol
- 51528-22-4
2-bromopentanedioic acid
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 0℃; for 16.3333h; Inert atmosphere; | 80% |
- 540-88-5
acetic acid tert-butyl ester
- 51528-22-4
2-bromopentanedioic acid
| Conditions | Yield |
|---|---|
| With perchloric acid at 20℃; | 42% |
- 51528-22-4
2-bromopentanedioic acid
- 140-89-6
potassium ethyl xanthogenate
- 36303-63-6
2-mercapto-glutaric acid
| Conditions | Yield |
|---|---|
| With water Einw.von wss.-alkoh.NH3 auf das Reaktionsprodukt; |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In benzene at 25℃; for 8h; Reflux; | 2.6 mg |
- 51528-22-4
2-bromopentanedioic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sulfuric acid / 1.25 h / Inert atmosphere; Reflux 2: sodium iodide / acetone / 2 h / Reflux View Scheme |
- 51528-22-4
2-bromopentanedioic acid
- 51453-91-9
dimethyl 2-[bis(benzyl)amino]glutarate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sulfuric acid / 1.25 h / Inert atmosphere; Reflux 2: triethylamine / acetonitrile / 40 h / 60 °C / Inert atmosphere View Scheme |
- 51528-22-4
2-bromopentanedioic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sulfuric acid / 1.25 h / Inert atmosphere; Reflux 2: sodium iodide / acetone / 2 h / Reflux 3: potassium carbonate / acetonitrile / 144 h / 60 °C / Molecular sieve; Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| With sulfuric acid for 1.25h; Fischer-Speier Esterification; Inert atmosphere; Reflux; | 2.79 g |
Pentanedioicacid, 2-bromo- Specification
The Pentanedioicacid, 2-bromo-, with the CAS registry number of 51528-22-4, is also known as α-Bromoglutaric acid. This chemical's molecular formula is C5H7BrO4. What's more, its systematic name is 2-Bromopentanedioic acid.
Physical properties about the Pentanedioicacid, 2-bromo- are: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 74.6 Å2; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 36.033 cm3; (13)Molar Volume: 113.879 cm3; (14)Surface Tension: 65.678 dyne/cm; (15)Density: 1.853 g/cm3; (16)Flash Point: 154.453 °C; (17)Enthalpy of Vaporization: 63.147 kJ/mol; (18)Boiling Point: 331.776 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrC(CCC(=O)O)C(O)=O
(2) InChI: InChI=1/C5H7BrO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2H2,(H,7,8)(H,9,10)
(3) InChIKey: UKUBAEDKWAHORT-UHFFFAOYAE
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