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1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose
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Name

1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose

 EINECS 800-102-2
CAS No. 3601-89-6 Density 1.283 g/cm3
PSA 61.83000 LogP 4.03960
Solubility N/A Melting Point 109 °C dec.
Formula C21H21ClO5 Boiling Point 518.4 °C at 760 mmHg
Molecular Weight 388.848 Flash Point 185.6 °C
Transport Information N/A Appearance Crystalline solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3601-89-6 (1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose) Hazard Symbols IrritantXi
Synonyms

D-erythro-Pentofuranosylchloride, 2-deoxy-, bis(4-methylbenzoate) (9CI);D-erythro-Pentofuranosylchloride, 2-deoxy-, di-p-toluate (7CI,8CI);Ribofuranosyl chloride, 2-deoxy-,di-p-toluate, D- (6CI);2-Deoxy-3,5-di-O-p-toluoyl-D-erythro-pentofuranosylchloride;3,5-Di-O-p-toluoyl-2-deoxy-D-ribofuranosyl chloride;

Article Data 10

1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose Synthetic route

30161-97-8

5-aminothaizolo<4,5-d>pyrimidine-2,7(3H,6H)-dione

3601-89-6

1-chloro-2-deoxy-3,5-di-O-p-toluoyl-D-erythro-pentofuranose

124737-27-5, 135505-31-6

5-amino-3-(2-deoxy-3,5-di-O-toluoyl-D-erythro-pentofuranosyl)thiazolo<4,5-d>pyrimidine-2,7-dione

Conditions
ConditionsYield
With trimethylsilyl fluoromethanesulfonate; 1,1,1,3,3,3-hexamethyl-disilazane 1.) reflux, 3 h, 2.) 110 deg C, 30 min; Yield given. Multistep reaction;
3601-89-6

1-chloro-2-deoxy-3,5-di-O-p-toluoyl-D-erythro-pentofuranose

124737-22-0

5-amino-3-(2-deoxy-β-D-erythro-pentofuranosyl)thiazolo<4,5-d>pyrimidine-2,7-dione

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1.) trimethylsilyl fluoromethanesulfonate, hexamethyldisilazane (HMDS) / 1.) reflux, 3 h, 2.) 110 deg C, 30 min
2: 42 percent / NaOMe / methanol / 8 h / Ambient temperature
View Scheme

1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose Specification

The 1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose, with CAS registry number 3601-89-6, belongs to the following product categories: (1)13C & 2H Sugars; (2)Carbohydrates & Derivatives. It has the systematic name of [(2R,3S)-5-chloro-2-[(4-methylbenzoyl)oxymethyl]tetrahydrofuran-3-yl] 4-methylbenzoate. This chemical is a kind of crystalline solid.

Physical properties of 1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose: (1)ACD/LogP: 5.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.23; (4)ACD/LogD (pH 7.4): 5.23; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 61.83 Å2; (9)Index of Refraction: 1.583; (10)Molar Refractivity: 101.3 cm3; (11)Molar Volume: 302.9 cm3; (12)Polarizability: 40.16×10-24cm3; (13)Surface Tension: 50.8 dyne/cm; (14)Enthalpy of Vaporization: 79.09 kJ/mol; (15)Vapour Pressure: 7.5E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)C(=O)OCC2C(CC(O2)Cl)OC(=O)c3ccc(cc3)C
(2)InChI: InChI=1/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19?/m0/s1
(3)InChIKey: FJHSYOMVMMNQJQ-PAMZHZACBW
(4)Std. InChI: InChI=1S/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19?/m0/s1
(5)Std. InChIKey: FJHSYOMVMMNQJQ-PAMZHZACSA-N

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