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2,2-dimethyl-3-hydroxypropionaldehyde
Pentaerythritol
3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane
Conditions | Yield |
---|---|
Stage #1: 2,2-dimethyl-3-hydroxypropionaldehyde; Pentaerythritol; sulfuric acid In water; xylene at 60℃; for 14h; Stage #2: With sodium hydroxide Conversion of starting material; | 89% |
Stage #1: 2,2-dimethyl-3-hydroxypropionaldehyde; Pentaerythritol; hydrogenchloride In water at 70℃; for 8h; Stage #2: With sodium hydroxide at 40℃; pH=6.5; Conversion of starting material; | 83% |
sulfuric acid In water at 60℃; for 6h; Conversion of starting material; | 80% |
3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane
chlorophosphoric acid diphenyl ester
C39H46O12P2
Conditions | Yield |
---|---|
With magnesium chloride In toluene at 100℃; for 5h; Inert atmosphere; | 87% |
3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane
4-Nitrophthalonitrile
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile for 72h; Reflux; | 85% |
3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane
chlorophosphoric acid diphenyl ester
A
C39H46O12P2
Conditions | Yield |
---|---|
With magnesium chloride In toluene at 100℃; for 5h; Inert atmosphere; Overall yield = 87 %; |
3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane
O-phenyl phosphorodichloridate
chlorophosphoric acid diphenyl ester
A
C39H46O12P2
Conditions | Yield |
---|---|
With magnesium chloride In toluene at 100℃; for 5h; Inert atmosphere; |
3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane
poly(methacrylic acid)
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid; copper(II) sulfate; 4-methoxy-phenol In tetrahydrofuran; toluene at 65 - 85℃; for 2h; |
3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane
D-camphor-10-sulfonyl chloride
Conditions | Yield |
---|---|
With dmap In dichloromethane for 12h; Schlenk technique; Inert atmosphere; |
3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane
R-(+)-α-trifluoromethyl-α-methoxy-phenylacetic acid
Conditions | Yield |
---|---|
Stage #1: R-(+)-α-trifluoromethyl-α-methoxy-phenylacetic acid With dmap; dicyclohexyl-carbodiimide In dichloromethane for 0.0333333h; Schlenk technique; Stage #2: 3,9-bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro[5.5]-undecane In dichloromethane Schlenk technique; Inert atmosphere; |
The 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diethanol, β3,β3,β9,β9-tetramethyl-, with the CAS registry number 1455-42-1, is also known as 3,9-Bis(2-hydroxy-1,1-dimethylethyl)-2,4,8,10-tetraoxaspiro(5.5)undecane. It belongs to the product categories of Dioxanes; Dioxanes & Dioxolanes. This chemical's molecular formula is C15H28O6 and molecular weight is 304.38. What's more, its systematic name is 2,2'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)bis(2-methylpropan-1-ol). Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices. You should not breathe dust. When using it, you must avoid contact with skin and eyes.
Physical properties of 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diethanol, β3,β3,β9,β9-tetramethyl- are: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.67; (8)ACD/KOC (pH 7.4): 22.67; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.38 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 77.42 cm3; (15)Molar Volume: 260.5 cm3; (16)Polarizability: 30.69×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 216.4 °C; (20)Enthalpy of Vaporization: 79.7 kJ/mol; (21)Boiling Point: 434.2 °C at 760 mmHg; (22)Vapour Pressure: 2.3E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1C(OCC2(C1)COC(OC2)C(C)(C)CO)C(C)(C)CO
(2)InChI: InChI=1S/C15H28O6/c1-13(2,5-16)11-18-7-15(8-19-11)9-20-12(21-10-15)14(3,4)6-17/h11-12,16-17H,5-10H2,1-4H3
(3)InChIKey: BPZIYBJCZRUDEG-UHFFFAOYSA-N