CAS No.111549-97-4,5-O-Allyl-2,3,4-tri-O-benzyl-D-ribitol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	111549-97-4
Name:	5-O-Allyl-2,3,4-tri-O-benzyl-D-ribitol
Article Data:	8

Formula:	C₂₉H₃₄O₅
Molecular Weight:	462.586
Synonyms:	D-Ribitol,2,3,4-tris-O-(phenylmethyl)-5-O-2-propenyl- (9CI);
Density:	1.124g/cm³
Boiling Point:	592.3 °C at 760 mmHg
Flash Point:	312 °C
PSA:	57.15000
LogP:	4.93750

Synthetic route

: 118964-50-4
5-O-allyl-2,3,4-tri-O-benzyl-D-ribose

: 111549-97-4
2,3,4-Tris-O-(phenylmethyl)-5-O-(prop-2-enyl)-D-ribitol

Conditions

Conditions	Yield
With sodium tetrahydroborate In methanol; water for 10h; Reduction;	90%
With sodium tetrahydroborate In methanol Yield given;

: 111549-96-3
5-O-allyl-2,3,4-tri-O-benzyl-1-O-trityl-D-ribitol

: 111549-97-4
2,3,4-Tris-O-(phenylmethyl)-5-O-(prop-2-enyl)-D-ribitol

Conditions

Conditions	Yield
With water; acetic acid at 80℃; for 1.5h;	90%
In water; acetic acid at 80℃; for 1.5h;	90%
With water; acetic acid at 80℃; for 1.5h;

: 100-39-0
benzyl bromide

: 116490-75-6
5-O-allyl-2,3-di-O-benzyl-D-ribitol

A: 111549-97-4
2,3,4-Tris-O-(phenylmethyl)-5-O-(prop-2-enyl)-D-ribitol

B: 116490-76-7
5-O-allyl-1,2,3-tri-O-benzyl-D-ribitol

Conditions

Conditions	Yield
With sodium hydroxide; tetrabutylammomium bromide In dichloromethane for 16h; Heating;	A 19% B 56%

...Expand

: 50-69-1
D-ribose

: 111549-97-4
2,3,4-Tris-O-(phenylmethyl)-5-O-(prop-2-enyl)-D-ribitol

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: 75 percent / conc. aq. HCl / 0.5 h / 0 °C 2.1: BuSnO23 / toluene / 4 h / Heating 2.2: 68 percent / CsF / dimethylformamide / 1 h / 20 °C 3.1: NaH / dimethylformamide / 0.5 h / 0 °C 3.2: 63 percent / dimethylformamide / 3.5 h / 0 °C 4.1: 86 percent / aq. HgCl2; CaCO3 / acetonitrile / 1 h / 20 °C 5.1: 90 percent / NaBH4 / methanol; H2O / 10 h View Scheme

: 7152-47-8
D-ribose diethyl dithioacetal

: 111549-97-4
2,3,4-Tris-O-(phenylmethyl)-5-O-(prop-2-enyl)-D-ribitol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: BuSnO23 / toluene / 4 h / Heating 1.2: 68 percent / CsF / dimethylformamide / 1 h / 20 °C 2.1: NaH / dimethylformamide / 0.5 h / 0 °C 2.2: 63 percent / dimethylformamide / 3.5 h / 0 °C 3.1: 86 percent / aq. HgCl2; CaCO3 / acetonitrile / 1 h / 20 °C 4.1: 90 percent / NaBH4 / methanol; H2O / 10 h View Scheme

: 129163-69-5
5-O-allyl D-ribose diethyl dithioacetal

: 111549-97-4
2,3,4-Tris-O-(phenylmethyl)-5-O-(prop-2-enyl)-D-ribitol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: NaH / dimethylformamide / 0.5 h / 0 °C 1.2: 63 percent / dimethylformamide / 3.5 h / 0 °C 2.1: 86 percent / aq. HgCl2; CaCO3 / acetonitrile / 1 h / 20 °C 3.1: 90 percent / NaBH4 / methanol; H2O / 10 h View Scheme
Multi-step reaction with 3 steps 1: 91 percent / sodium hydride, tetra-n-butylammonium iodide / tetrahydrofuran / Ambient temperature 2: mercury(II)chloride, mercury(II)oxide / acetone; H2O / 2 h / Ambient temperature 3: sodium borohydride / methanol View Scheme

: 118964-49-1
5-O-allyl 2,3,4-tri-O-benzyl-D-ribose diethyl dithioacetal

: 111549-97-4
2,3,4-Tris-O-(phenylmethyl)-5-O-(prop-2-enyl)-D-ribitol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 86 percent / aq. HgCl2; CaCO3 / acetonitrile / 1 h / 20 °C 2: 90 percent / NaBH4 / methanol; H2O / 10 h View Scheme
Multi-step reaction with 2 steps 1: mercury(II)chloride, mercury(II)oxide / acetone; H2O / 2 h / Ambient temperature 2: sodium borohydride / methanol View Scheme

: 30725-00-9
2,3-O-isopropylidene-D-ribonic-γ-lactone

: 111549-97-4
2,3,4-Tris-O-(phenylmethyl)-5-O-(prop-2-enyl)-D-ribitol

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 40 percent / silver oxide / dimethylformamide / 48 h / in dark 2: 80 percent / sodium borohydride / tetrahydrofuran / 55 °C / 2.) methanol 45 min and 1h 3: acetic acid; H2O / 4 h / 50 °C 4: pyridine / Ambient temperature 5: 86 percent / 1.) sodium hydride / dimethylformamide / 1.) 0 deg C 30 min; 2.) 0 deg C 30 min; 3.) room temperature overnight 6: 90 percent / acetic acid; H2O / 1.5 h / 80 °C View Scheme
Multi-step reaction with 7 steps 1: 85 percent / pyridine / acetonitrile / 0 °C / 1.) 40 min; 2.) 1 h 2: LiAlH4, tetrakis(triphenylphosphine)palladium / dioxane / 0.25 h 3: 80 percent / sodium borohydride / tetrahydrofuran / 55 °C / 2.) methanol 45 min and 1h 4: acetic acid; H2O / 4 h / 50 °C 5: pyridine / Ambient temperature 6: 86 percent / 1.) sodium hydride / dimethylformamide / 1.) 0 deg C 30 min; 2.) 0 deg C 30 min; 3.) room temperature overnight 7: 90 percent / acetic acid; H2O / 1.5 h / 80 °C View Scheme
Multi-step reaction with 6 steps 1: 85 percent / tetrahydrofuran; pyridine / 2 h / 0 °C 2: 100 percent / palladium tetrakis / dioxane / 0.25 h / Heating 3: 80 percent / NaBH4 / tetrahydrofuran; methanol / 2 h / 55 °C 4: 1.) HOAc, H2O / 1.) 50 degC, 4h 2.) pyridine, roomtemp., overnight 5: 86 percent / NaH / dimethylformamide / 1 h / 0 °C 6: 90 percent / HOAc, H2O / 1.5 h / 80 °C View Scheme

: 111549-94-1
5-O-allyl-2,3-O-isopropylidene-D-ribitol

: 111549-97-4
2,3,4-Tris-O-(phenylmethyl)-5-O-(prop-2-enyl)-D-ribitol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: acetic acid; H2O / 4 h / 50 °C 2: pyridine / Ambient temperature 3: 86 percent / 1.) sodium hydride / dimethylformamide / 1.) 0 deg C 30 min; 2.) 0 deg C 30 min; 3.) room temperature overnight 4: 90 percent / acetic acid; H2O / 1.5 h / 80 °C View Scheme
Multi-step reaction with 3 steps 1: 1.) HOAc, H2O / 1.) 50 degC, 4h 2.) pyridine, roomtemp., overnight 2: 86 percent / NaH / dimethylformamide / 1 h / 0 °C 3: 90 percent / HOAc, H2O / 1.5 h / 80 °C View Scheme

: 111549-93-0
5'-O-allyl-2',3'-O-isopropylidene-D-ribonic-γ-lactone

: 111549-97-4
2,3,4-Tris-O-(phenylmethyl)-5-O-(prop-2-enyl)-D-ribitol

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 80 percent / sodium borohydride / tetrahydrofuran / 55 °C / 2.) methanol 45 min and 1h 2: acetic acid; H2O / 4 h / 50 °C 3: pyridine / Ambient temperature 4: 86 percent / 1.) sodium hydride / dimethylformamide / 1.) 0 deg C 30 min; 2.) 0 deg C 30 min; 3.) room temperature overnight 5: 90 percent / acetic acid; H2O / 1.5 h / 80 °C View Scheme
Multi-step reaction with 4 steps 1: 80 percent / NaBH4 / tetrahydrofuran; methanol / 2 h / 55 °C 2: 1.) HOAc, H2O / 1.) 50 degC, 4h 2.) pyridine, roomtemp., overnight 3: 86 percent / NaH / dimethylformamide / 1 h / 0 °C 4: 90 percent / HOAc, H2O / 1.5 h / 80 °C View Scheme

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Specification

The 5-O-Allyl-2,3,4-tri-O-benzyl-D-ribitol, with CAS registry number 111549-97-4, has the systematic name of 2,3,4-tri-O-benzyl-5-O-prop-2-en-1-yl-D-ribitol. Besides this, it is also called D-ribitol, 2,3,4-tris-O-(phenylmethyl)-5-O-2-propen-1-yl-. And the chemical formula of this chemical is C₂₉H₃₄O₅.

Physical properties of 5-O-Allyl-2,3,4-tri-O-benzyl-D-ribitol: (1)ACD/LogP: 7.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.12; (4)ACD/LogD (pH 7.4): 7.12; (5)ACD/BCF (pH 5.5): 151872.78; (6)ACD/BCF (pH 7.4): 151872.78; (7)ACD/KOC (pH 5.5): 178024.86; (8)ACD/KOC (pH 7.4): 178024.86; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 46.15 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 134.58 cm³; (15)Molar Volume: 411.3 cm³; (16)Polarizability: 53.35×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Enthalpy of Vaporization: 92.89 kJ/mol; (19)Vapour Pressure: 7.12E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O([C@@H]([C@@H](OCc1ccccc1)[C@@H](OCc2ccccc2)CO)COC\C=C)Cc3ccccc3
(2)InChI: InChI=1/C29H34O5/c1-2-18-31-23-28(33-21-25-14-8-4-9-15-25)29(34-22-26-16-10-5-11-17-26)27(19-30)32-20-24-12-6-3-7-13-24/h2-17,27-30H,1,18-23H2/t27-,28+,29-/m0/s1
(3)InChIKey: PBGRBWYIGUUVHW-NHKHRBQYBD
(4)Std. InChI: InChI=1S/C29H34O5/c1-2-18-31-23-28(33-21-25-14-8-4-9-15-25)29(34-22-26-16-10-5-11-17-26)27(19-30)32-20-24-12-6-3-7-13-24/h2-17,27-30H,1,18-23H2/t27-,28+,29-/m0/s1
(5)Std. InChIKey: PBGRBWYIGUUVHW-NHKHRBQYSA-N