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Basic Information
| CAS No.: | 880-68-2 |
|---|---|
| Name: | 1,4-BENZENEBISPHOSPHONIC ACID |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H8 O6 P2 |
| Molecular Weight: | 238.073 |
| Synonyms: | Phosphonicacid, 1,4-phenylenebis- (9CI); Phosphonic acid, p-phenylenedi- (6CI,7CI,8CI);1,4-Benzenediphosphonic acid; 1,4-Diphosphonobenzene;1,4-Phenylenebisphosphonic acid; 1,4-Phenylenediphosphonic acid;p-Phenylenebis(phosphonic acid) |
| Density: | 1.80±0.1 g/cm3(Predicted) |
| Melting Point: | 275 °C |
| Boiling Point: | 580.4±60.0 °C(Predicted) |
| PSA: | 134.68000 |
| LogP: | -0.70740 |
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Synthetic route
- 880-68-2
1,4-phenylenebis(phosphonic acid)
Conditions
| Conditions | Yield |
|---|---|
| With methanol for 24h; Ambient temperature; | 100% |
- 21267-14-1
tetraethyl 1,4-phenylbis(phosphonate)
- 880-68-2
1,4-phenylenebis(phosphonic acid)
Conditions
| Conditions | Yield |
|---|---|
| With trimethylsilyl bromide In dichloromethane at 20℃; for 4h; Inert atmosphere; | 91% |
| Stage #1: tetraethyl 1,4-phenylbis(phosphonate) With trimethylsilyl bromide In acetonitrile at 20℃; for 3h; Stage #2: With water In diethyl ether at 20℃; for 0.5h; Further stages.; | |
| With hydrogenchloride; water at 110℃; | Ca. 2 g |
- 60-29-7
diethyl ether
- 124-38-9
carbon dioxide
- 21267-14-1
tetraethyl 1,4-phenylbis(phosphonate)
- 880-68-2
1,4-phenylenebis(phosphonic acid)
Conditions
| Conditions | Yield |
|---|---|
| With hydrogen bromide In ethanol; acetic acid | 89% |
| With hydrogen bromide In ethanol; acetic acid | 89% |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 92 percent / NiCl2 / 0.5 h / 150 °C 2: 100 percent / MeOH / 24 h / Ambient temperature View Scheme | |
| Multi-step reaction with 2 steps 1: nickel dichloride 2: trimethylsilyl bromide / dichloromethane / 4 h / 20 °C / Inert atmosphere View Scheme |
- 880-68-2
1,4-phenylenebis(phosphonic acid)
Conditions
| Conditions | Yield |
|---|---|
| In water refluxing ligand with 4 equiv. of Cu-salt (60°C, 24 h, pptn.); filtration, washing, drying (room temp.); | 89% |
Conditions
| Conditions | Yield |
|---|---|
| With HF In water High Pressure; V2O5 (0.87 mmol), 1,4-phenyldiphosphonic acid (0.41 mmol), amine (1.79 mmol), H2O (554.94 mmol), and HF (23.2 mmol), initail pH 1, sealed, heated at 150°C for 5 d h, final pH 1; filtered off, elem. anal.; | 85% |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: chromium(III) nitrate nonahydrate; 1,4-phenylenebis(phosphonic acid) In water Stage #2: acetone In water | 85% |
...Expand
- 86119-84-8, 7664-38-2
phosphoric acid
- 880-68-2
1,4-phenylenebis(phosphonic acid)
- 7664-39-3
hydrogen fluoride
Conditions
| Conditions | Yield |
|---|---|
| In ethanol dissolving of (H3PO2)2C6H4 (2.10 mmol) and 85% H3PO4 (12.59 mmol) in abs. C2H5OH in vial, dissolving of ZrOCl2*8H2O (9.25 mmol) and 48 % HF (180mmol) in abs. C2H5OH in small bottle, shaking, addn. to vial, sealing, heating at 75°C for 6 days; pptn., washing with water, drying at 50°C, elem. anal.; | 82% |
...Expand
- 280-57-9
1,4-diaza-bicyclo[2.2.2]octane
- 880-68-2
1,4-phenylenebis(phosphonic acid)
- 7664-39-3
hydrogen fluoride
- 7732-18-5
water
Conditions
| Conditions | Yield |
|---|---|
| In water High Pressure; V2O5 (0.86 mmol), 1,4-phenyldiphosphonic acid (0.43 mmol), amine (1.80 mmol), H2O (554.94 mmol), and HF (40.60 mmol), initail pH 1, sealed, heated at 180°C for 6 d h, final pH 1; filtered off, elem. anal.; | 80% |
...Expand
- 880-68-2
1,4-phenylenebis(phosphonic acid)
Conditions
| Conditions | Yield |
|---|---|
| With HF In water dissolving of (H3PO2)2C6H4 (4.20 mmol) in 20 ml of distd. H2O in a plastic beaker, in a separate bottle dissolving of ZrOCl2*8H2O (2.87 mmol) in20 ml of distd. H2O, addn. of 48 % HF (47.7 mmol), heating at 60.degree .C for 7 days in an oil bath; collection of solid, washing with water, drying at 50°C, elem. anal.; | 79% |
- Total:11 Page 1 of 1 1
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1,4-BENZENEBISPHOSPHONIC ACID
