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Cas Database |
| Name |
[(6-Oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]butanedioic acid |
EINECS | 426-480-5 |
| CAS No. | 63562-33-4 | Density | 1.48 g/cm3 |
| PSA | 110.71000 | LogP | 2.82490 |
| Solubility | freely soluble in xylene and acetone | Melting Point |
191--192 ºC |
| Formula | C17H15O6P | Boiling Point | 578.3 °C at 760 mmHg |
| Molecular Weight | 346.276 | Flash Point | 303.5 °C |
| Transport Information | N/A | Appearance | Solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Butanedioicacid, (6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)-, P-oxide;Butanedioicacid, [(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]- (9CI);9,10-Dihydro-9-oxa-10-phosphaphenanthren-10-oxide itaconic acid adduct;M-Acid;M-Acid (carboxylic acid);Ukanol RD;ZB 101; |
Article Data | 3 |
[(6-Oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]butanedioic acid Synthetic route
- 97-65-4
2-methylenesuccinic acid
- 35948-25-5
9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide
- 63562-33-4
DDP
| Conditions | Yield |
|---|---|
| In 1,3-dioxane at 178℃; for 4h; Solvent; Temperature; Inert atmosphere; Sealed tube; | 95% |
| With dihydrogen hexachloroplatinate In 5,5-dimethyl-1,3-cyclohexadiene; isopropyl alcohol at 120℃; for 20h; | 311g |
- 765854-43-1
9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide
- 97-65-4
2-methylenesuccinic acid
- 63562-33-4
DDP
| Conditions | Yield |
|---|---|
| With dihydrogen hexachloroplatinate In isopropyl alcohol; toluene at 120℃; for 12h; |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide; acetone for 12h; Reflux; | 82.4% |
| With triethylamine In butanone at 20℃; for 18h; |
| Conditions | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetone at 25℃; for 3h; | 79.3% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In tetrahydrofuran at 40℃; for 72h; |
- 63562-33-4
DDP
- 1529772-12-0
C23H23O8P
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium carbonate / tetrahydrofuran / 72 h / 40 °C 2: dihydrogen peroxide; formic acid / 1,4-dioxane / 60 h / 60 °C View Scheme | |
| Multi-step reaction with 2 steps 1: triethylamine / butanone / 18 h / 20 °C 2: dihydrogen peroxide; formic acid / 1,4-dioxane / 60 h / 60 °C View Scheme |
| Conditions | Yield |
|---|---|
| Stage #1: Pentaerythritol; DDP at 188℃; for 1h; Inert atmosphere; Stage #2: C7H15NO3S for 2h; Temperature; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| Stage #1: Pentaerythritol; DDP at 180℃; for 1h; Inert atmosphere; Stage #2: L-cysteine-(2-hydroxyethyl)ester for 1h; Temperature; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| at 180℃; for 1h; Temperature; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| Stage #1: DDP; ethylene glycol With toluene-4-sulfonic acid at 186℃; for 2h; Inert atmosphere; Stage #2: C73H64O24P4 for 4h; Inert atmosphere; |
[(6-Oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]butanedioic acid Specification
The [(6-Oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]butanedioic acid with cas registry number of 63562-33-4, has the systematic name of 2-[(6-oxido-6H-dibenzo[c,e][1,2]oxaphosphinin-6-yl)methyl]butanedioic acid. And its IUPAC name is 2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioic acid.
Physical properties about this chemical are: (1)#H bond acceptors: 6; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 88.71 Å2; (5)Index of Refraction: 1.641; (6)Molar Refractivity: 84.32 cm3; (7)Molar Volume: 233.7 cm3; (8)Polarizability: 33.42×10-24cm3; (9)Surface Tension: 71.1 dyne/cm; (10)Enthalpy of Vaporization: 91.04 kJ/mol; (11)Vapour Pressure: 3.26E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(C(=O)O)CP2(=O)Oc3c(c1c2cccc1)cccc3;
(2)InChI: InChI=1/C17H15O6P/c18-16(19)9-11(17(20)21)10-24(22)15-8-4-2-6-13(15)12-5-1-3-7-14(12)23-24/h1-8,11H,9-10H2,(H,18,19)(H,20,21);
(3)InChIKey: XZAXQWXHBDKYJI-UHFFFAOYAP;
(4)Std. InChI: InChI=1S/C17H15O6P/c18-16(19)9-11(17(20)21)10-24(22)15-8-4-2-6-13(15)12-5-1-3-7-14(12)23-24/h1-8,11H,9-10H2,(H,18,19)(H,20,21);
(5)Std. InChIKey: XZAXQWXHBDKYJI-UHFFFAOYSA-N
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