CAS No.154-58-5,1,5-Anhydro-D-glucitol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	154-58-5
Name:	1,5-Anhydro-D-glucitol
Article Data:	65

Formula:	C₆H₁₂O₅
Molecular Weight:	164.158
Synonyms:	D-Glucose,1-deoxy- (7CI);Glucitol, 1,5-anhydro-, D- (8CI);Polygalitol (6CI);1,5-Anhydroglucitol;1,5-Anhydrosorbitol;1-Deoxy-D-glucopyranose;Aceritol;
EINECS:	205-829-3
Density:	1.533 g/cm³
Melting Point:	142-143 °C
Boiling Point:	376.8 °C at 760 mmHg
Flash Point:	181.7 °C
Appearance:	White crystals
Hazard Symbols:	Xi
Safety:	24/25
PSA:	90.15000
LogP:	-2.53980

Synthetic route

: 1338660-78-8
1,5-anhydro-2,3,4,6-tetra-O-allyl-D-glucitol

: 154-58-5
1,5-anhydro-D-glucitol

Conditions

Conditions	Yield
With methanol; palladium dichloride at 60℃; for 8h;	100%

: 13137-69-4
1-deoxy-D-glucose tetraacetate

: 154-58-5
1,5-anhydro-D-glucitol

Conditions

Conditions	Yield
With sodium methylate In methanol at 45℃; for 0.333333h;	98%
With sodium methylate In methanol at 20℃; for 16h;	92%
With methanol; potassium carbonate at 25℃; for 1.5h;	90%

: 19159-25-2
sucrose octakis(trimethylsilyl) ether

A: 69-65-8
mannitol

B: 50-70-4
D-sorbitol

C: 154-58-5
1,5-anhydro-D-glucitol

Conditions

Conditions	Yield
Stage #1: sucrose octakis(trimethylsilyl) ether With bis(pentafluorophenyl)borinic acid; 1,1,3,3-tetramethyldisilazane In chloroform-d1 at 25℃; for 3h; Inert atmosphere; Glovebox; Stage #2: In methanol Inert atmosphere; Glovebox;	A n/a B n/a C 90%

...Expand

: C32H72O6Si4

: 154-58-5
1,5-anhydro-D-glucitol

Conditions

Conditions	Yield
With triethylsilane; tris(pentafluorophenyl)borate In dichloromethane at 20℃; for 48h; Reagent/catalyst;	86%

: 152840-34-1
1-deoxy-3,4,6-tri-O-benzyl-D-glucopyranose

: 154-58-5
1,5-anhydro-D-glucitol

Conditions

Conditions	Yield
With hydrogen; palladium dihydroxide In methanol under 2327.2 Torr; for 4h;	81%

: 2641-79-4
methyl 2,3,4,6-tetrakis-O-trimethylsilyl-α-D-glucopyranoside

: 154-58-5
1,5-anhydro-D-glucitol

Conditions

Conditions	Yield
Stage #1: methyl 2,3,4,6-tetrakis-O-trimethylsilyl-α-D-glucopyranoside With bis(pentafluorophenyl)borinic acid; 1,1,3,3-tetramethyldisilazane In chloroform-d1 at 25℃; for 1.5h; Inert atmosphere; Glovebox; Stage #2: In methanol Inert atmosphere; Glovebox; regioselective reaction;	81%

: (1R,2R,3S,4R,5R)-fluoro-2,3,4,6-tetra-O-(trimethylsilyl)-α-D-glucopyranoside

A: 50-70-4
D-sorbitol

B: 154-58-5
1,5-anhydro-D-glucitol

Conditions

Conditions	Yield
Stage #1: (1R,2R,3S,4R,5R)-fluoro-2,3,4,6-tetra-O-(trimethylsilyl)-α-D-glucopyranoside With bis(pentafluorophenyl)borinic acid; 1,1,3,3-tetramethyldisilazane In chloroform-d1 at 25℃; for 0.3h; Inert atmosphere; Glovebox; Stage #2: In methanol Inert atmosphere; Glovebox; regioselective reaction;	A 9% B 76%

: 19200-26-1
N,N-dimethyl β-D-glucopyranosyl dithiocarbamate

: 292638-85-8
acrylic acid methyl ester

A: methyl 3-(α-D-glucopyranosyl)propanoate

B: 154-58-5
1,5-anhydro-D-glucitol

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In water at 75℃; for 1.5h; Reagent/catalyst; Inert atmosphere; stereoselective reaction;	A 72% B 28%

...Expand

: 50-70-4
D-sorbitol

A: 51607-79-5
2,5-anhydro-d-sorbitol

B: 652-67-5
Isosorbide

C: 154-58-5
1,5-anhydro-D-glucitol

Conditions

Conditions	Yield
With Amberlyst-15 at 120℃; under 7.50075 Torr; for 10h; Reagent/catalyst;	A n/a B 71% C n/a

...Expand

: 3,4,6-tri-O-tert-butyldimethylsilyl-1-deoxy-D-glucopyranose

: 154-58-5
1,5-anhydro-D-glucitol

Conditions

Conditions	Yield
With trifluoroacetic acid In methanol for 2.5h;	70%

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Specification

The CAS register number of 1,5-Anhydroglucitol is 154-58-5. It also can be called as D-Glucitol,1,5-anhydro- and the IUPAC name about this chemical is (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol. The molecular formula about this chemical is C₆H₁₂O₅ and the molecular weight is 164.15. It belongs to the following product categories which include 13C & 2H Sugars; Carbohydrates & Derivatives and so on.

Physical properties about 1,5-Anhydroglucitol are: (1)ACD/LogP: -1.24; (2)ACD/LogD (pH 5.5): -1.24; (3)ACD/LogD (pH 7.4): -1.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.06; (7)ACD/KOC (pH 7.4): 5.06; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 46.15Å²; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 35.66 cm³; (14)Molar Volume: 107 cm³; (15)Polarizability: 14.13x10^-24cm³; (16)Surface Tension: 66.8 dyne/cm; (17)Enthalpy of Vaporization: 72.24 kJ/mol; (18)Boiling Point: 376.8 °C at 760 mmHg; (19)Vapour Pressure: 3.21E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]1[C@H](OC[C@H](O)[C@H]1O)CO
(2)InChI: InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
(3)InChIKey: MPCAJMNYNOGXPB-SLPGGIOYBT
(4)Std. InChI: InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
(5)Std. InChIKey: MPCAJMNYNOGXPB-SLPGGIOYSA-N