Acetylsalicylic anhydride supplier

Name
Acetylsalicylic anhydride
EINECS 215-987-5
CAS No. 1466-82-6
Article Data21
CAS DataBase
Density 1.306 g/cm³
Solubility
Melting Point 80-83 °C
Formula C₁₈H₁₄O₇
Boiling Point 511.2 °C at 760 mmHg
Molecular Weight 342.305
Flash Point 226.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Benzoicacid, 2-(acetyloxy)-, anhydride (9CI);Salicylic acid acetate, anhydride (8CI);Salicylic anhydride, diacetate (6CI,7CI);2-Acetoxybenzoic anhydride;Acetylsalicylic acid anhydride;Aspirin anhydride;Contraflu;NSC 63848;NSC 80056;Pircan;Vigal;Benzoic acid,2-(acetyloxy)-, 1,1'-anhydride;
PSA 95.97000
LogP 2.53440

Synthetic route

: 50-78-2
aspirin

: 1466-82-6
aspirin anhydride

Conditions

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%

: 110-86-1
pyridine

: 36335-42-9
(2-acetoxy-benzoyl)-carbonic acid ethyl ester

A: 1466-82-6
aspirin anhydride

B: 530-75-6
acetylsalicylsalicylic acid

...Expand

: 36335-42-9
(2-acetoxy-benzoyl)-carbonic acid ethyl ester

: 1466-82-6
aspirin anhydride

Conditions

Conditions	Yield
im Vakuum;
With pyridine
im Vakuum;

: 18698-59-4
(2-acetoxy-benzoic acid )-acetic acid-anhydride

A: 1466-82-6
aspirin anhydride

B: 108-24-7
acetic anhydride

Conditions

Conditions	Yield
Disproportionierung;

: (2-acetoxy-benzoic acid )-benzoic acid-anhydride

: 1466-82-6
aspirin anhydride

: (2-acetoxy-benzoic acid )-benzoic acid-anhydride

A: 1466-82-6
aspirin anhydride

B: 93-97-0
benzoic acid anhydride

: 50-78-2
aspirin

: 5538-51-2
O-acetylsalicyloyl chloride

: 1466-82-6
aspirin anhydride

Conditions

Conditions	Yield
With toluene bei Gegenwart einer tertiaeren Base;

: 5538-51-2
O-acetylsalicyloyl chloride

: 1466-82-6
aspirin anhydride

Conditions

Conditions	Yield
With α-picoline; benzene Behandeln des Reaktionsprodukts mit Wasser;

: 50-78-2
aspirin

A: 1466-82-6
aspirin anhydride

B: (R,S)-2-(acetoxybenzoyloxy)-2-methyl-4H-1,3-benzodioxin-4-one

Conditions

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;

: 5538-51-2
O-acetylsalicyloyl chloride

acetylsalicylate sodium: acetylsalicylate sodium

: 1466-82-6
aspirin anhydride

: 98-88-4
benzoyl chloride

: 1466-82-6
aspirin anhydride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether; pyridine View Scheme
Multi-step reaction with 2 steps 1: pyridine; diethyl ether View Scheme

: 98-88-4
benzoyl chloride

A: 1466-82-6
aspirin anhydride

B: 93-97-0
benzoic acid anhydride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pyridine; diethyl ether View Scheme

: 1466-82-6
aspirin anhydride

: cabazitaxel

: C54H63NO17

Conditions

Conditions	Yield
In pyridine at 20℃;	79%

: 1466-82-6
aspirin anhydride

: 125354-16-7
10-acetyldocetaxel

: C54H61NO18

Conditions

Conditions	Yield
In pyridine at 20℃;	79%

: 1466-82-6
aspirin anhydride

: C19H30O10

: Ac-[G2]-(Asp)4

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 20℃;	53%
With pyridine; dmap In dichloromethane at 20℃; for 24h;

: cis,cis,trans-diamminedichlorodihydroxy platinum(IV)

: 1466-82-6
aspirin anhydride

: asplatin

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 65℃; for 48h; Solvent;	27%
In dimethyl sulfoxide at 20℃; for 24h;
In dimethyl sulfoxide

: 1466-82-6
aspirin anhydride

: 125363-87-3
4--α-<(9H-purin-6-ylthio)methyl>-1-piperazineethanol

: 2-Acetoxy-benzoic acid 2-{4-[bis-(4-fluoro-phenyl)-methyl]-piperazin-1-yl}-1-(7H-purin-6-ylsulfanylmethyl)-ethyl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 70h; Ambient temperature;	18.5%

: 1466-82-6
aspirin anhydride

: 43179-12-0
D-xylopyrannosylamine

: 78518-49-7
D-xylopyrannosylamido-1 acetoxy-2 benzene

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 2h; Ambient temperature;	16%

: 110-86-1
pyridine

: 1466-82-6
aspirin anhydride

: 530-75-6
acetylsalicylsalicylic acid

: 1466-82-6
aspirin anhydride

: 54-21-7
sodium salicylate

: 530-75-6
acetylsalicylsalicylic acid

Conditions

Conditions	Yield
With acetone

: 1466-82-6
aspirin anhydride

: 530-75-6
acetylsalicylsalicylic acid

Conditions

Conditions	Yield
With pyridine

: 1466-82-6
aspirin anhydride

: 124118-53-2
2-(2-acetoxy-benzoyloxy)-benzoic acid-anhydride

Conditions

Conditions	Yield
at 70℃; Zersetzung;

: 1466-82-6
aspirin anhydride

A: 530-75-6
acetylsalicylsalicylic acid

B: 64-19-7
acetic acid

Conditions

Conditions	Yield
Zersetzung der feuchten Verbindung;

: 1466-82-6
aspirin anhydride

: 121-69-7
N,N-dimethyl-aniline

: 69-72-7
salicylic acid

: 530-75-6
acetylsalicylsalicylic acid

...Expand

: 1466-82-6
aspirin anhydride

: 54-21-7
sodium salicylate

: 67-64-1
acetone

: 530-75-6
acetylsalicylsalicylic acid

...Expand

: 1466-82-6
aspirin anhydride

: 69-72-7
salicylic acid

: 530-75-6
acetylsalicylsalicylic acid

Conditions

Conditions	Yield
With 2,3-Dimethylaniline

: 52-90-4
L-Cysteine

: 1466-82-6
aspirin anhydride

A: S-(O-acetylsalicyloyl)-2-amino-3-thiopropionic acid

B: 50-78-2
aspirin

Conditions

Conditions	Yield
In 1,4-dioxane; water Rate constant; sodium acetate buffer;;

...Expand

: 616-91-1
N-acetylcystein

: 1466-82-6
aspirin anhydride

A: 2-acetamido-3-(2-acetoxybenzoylthio)propionic acid

B: 50-78-2
aspirin

Conditions

Conditions	Yield
In 1,4-dioxane; water Rate constant; sodium acetate buffer;;

...Expand

Acetylsalicylic anhydride Specification

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 %.

The Acetylsalicylic anhydride can be obtained by 2-Acetoxy-benzoic acid.

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.

Product Name

Acetylsalicylic anhydride

Synthetic route

Acetylsalicylic anhydride Specification

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