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Conditions | Yield |
---|---|
With dicyclohexyl-carbodiimide In dichloromethane at 20℃; | 100% |
With iodine; triethylamine; triphenylphosphine In dichloromethane at 0 - 20℃; | 72% |
With triethylamine; trichloroacetonitrile; triphenylphosphine In tetrahydrofuran at 20℃; for 2h; | 71% |
pyridine
(2-acetoxy-benzoyl)-carbonic acid ethyl ester
A
aspirin anhydride
B
acetylsalicylsalicylic acid
(2-acetoxy-benzoyl)-carbonic acid ethyl ester
aspirin anhydride
Conditions | Yield |
---|---|
im Vakuum; | |
With pyridine | |
im Vakuum; |
(2-acetoxy-benzoic acid )-acetic acid-anhydride
A
aspirin anhydride
B
acetic anhydride
Conditions | Yield |
---|---|
Disproportionierung; |
aspirin anhydride
Conditions | Yield |
---|---|
With toluene bei Gegenwart einer tertiaeren Base; |
Conditions | Yield |
---|---|
With α-picoline; benzene Behandeln des Reaktionsprodukts mit Wasser; |
Conditions | Yield |
---|---|
With triethylamine; trifluoroacetic anhydride 1.) toluene, from 40 deg C to RT, 2.) toluene, 10 min; Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; | |
With triethylamine; trifluoroacetic anhydride 1.) toluene, from 40 deg C to RT, 2.) toluene, 10 min; Yield given. Multistep reaction; |
The Acetylsalicylic anhydride, with the CAS registry number 1466-82-6, is also known as 2-(Acetyloxy)benzoic anhydride. It belongs to the product categories of Impurities; Intermediates & Fine Chemicals; Pharmaceuticals. And its EINECS registry number is 215-987-5. This chemical's molecular formula is C18H14O7 and molecular weight is 342.30. What's more, its IUPAC name is (2-Acetyloxybenzoyl) 2-acetyloxybenzoate. In addition, this chemical's classification code is Mutation Data. And it is an impurity in aspirin.
Physical properties about Acetylsalicylic anhydride are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 5.99; (6)ACD/BCF (pH 7.4): 5.99; (7)ACD/KOC (pH 5.5): 125.31; (8)ACD/KOC (pH 7.4): 125.31; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 95.97 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 85.67 cm3; (15)Molar Volume: 261.9 cm3; (16)Polarizability: 33.96×10-24 cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.306 g/cm3; (19)Flash Point: 226.4 °C; (20)Enthalpy of Vaporization: 78.21 kJ/mol; (21)Boiling Point: 511.2 °C at 760 mmHg; (22)Vapour Pressure: 1.45E-10 mmHg at 25 °C.
Preparation of Acetylsalicylic anhydride: this chemical is prepared by 2-Acetoxy-benzoic acid. This reaction needs reagents Ph3P, CCl3CN and Et3N. Meanwhile, it needs solvent Tetrahydrofuran. The reaction time is 2 hours with reaction temperature of 20 °C. The yield is about 71 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful if swallowed. During using it, you should wear suitable protective clothing. In case of 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: O=C(Oc2ccccc2C(=O)OC(=O)c1ccccc1OC(=O)C)C
(2) InChI: InChI=1/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3
(3) InChIKey: OAWXYINGQXLWOE-UHFFFAOYAV
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 2200mg/kg (2200mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) CARDIAC: OTHER CHANGES | Toxicology and Applied Pharmacology. Vol. 2, Pg. 514, 1960. |