Theophylline-7-acetic acid

Product Name: Theophylline-7-acetic acid
CAS No.: 652-37-9
Chemical Name: Theophylline-7-acetic acid
Synonyms: ACEFYLLINE;CAFFEINE CARBOXYLIC ACID;acephylline;AKOS BBS-00003810;Theophylline-7-aceti;acetyloxytheophylline;N-7-Theophyllineacetic;LABOTEST-BB LT00053164;THEOPHYLLINEACETIC ACID;THEOPHYLINE ACETIC ACID
CBNumber: CB4295321
Molecular Formula: C9H10N4O4
Formula Weight: 238.2
MOL File: 652-37-9.mol

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Theophylline-7-acetic acid Property

Melting point:: 270-272 °C
Boiling point:: 269-271 C
Density: 1?+-.0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly)
form: Solid
pka: 3.72±0.10(Predicted)
color: White
Merck: 14,24
BRN: 279221
LogP: -0.490 (est)
CAS DataBase Reference: 652-37-9(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36
WGK Germany: 2
RTECS: UO7451300
HS Code: 2939.59.0000

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: S410152
Product name: THEOPHYLLINE-7-ACETIC ACID
Purity: Aldrich<sup>CPR</sup>
Packaging: 1 unit
Price: $185
Updated: 2025/07/31

Sigma-Aldrich

Product number: S410152
Product name: THEOPHYLLINE-7-ACETIC ACID
Purity: Aldrich
Packaging: 1g
Price: $179
Updated: 2024/03/01

Sigma-Aldrich

Product number: 88310
Product name: Theophylline-7-acetic acid
Purity: ≥99.0% (T)
Packaging: 100g
Price: $71.1
Updated: 2022/05/15

TCI Chemical

Product number: T2941
Product name: Theophylline-7-acetic Acid
Purity: >98.0%(HPLC)(T)
Packaging: 25g
Price: $30
Updated: 2025/07/31

Usbiological

Product number: 021694
Product name: Theophylline-7-acetic Acid
Packaging: 10g
Price: $389
Updated: 2021/12/16

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Theophylline-7-acetic acid Chemical Properties,Usage,Production

Chemical Properties

White Solid

Uses

Bronchospasm;Adenosine receptor antagonist

Definition

ChEBI: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid is an oxopurine.

Synthesis

7029-96-1

652-37-9

General method: LiOH-H2O (1.5 eq.) was added in batches to a stirred solution of ester compounds 2a-2b (1.0 eq.) dissolved in THF (10 v/v) and H2O (10 v/v) at room temperature, and the reaction mixture was stirred continuously for 2 hr. The reaction progress was monitored by TLC. Upon completion of the reaction, THF was removed by concentration under reduced pressure, acidified to acidity with aqueous KHSO4, and subsequently extracted with a solvent mixture of 5% methanol and dichloromethane. The organic phases were combined, dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure to give the target solid products 3a-3b. 4.2.3 Synthesis of 2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid (3a): compound 2a (5 g, 18.78 mmol) was dissolved in 100 mL of THF:H2O (1:1) mixed solvent, LiOH-H2O (1.18 g, 28.18 mmol) was added, and the product was extracted as described in the The above general method was operated to give the white solid product 3a (4.1 g, 91% yield).1H NMR (400 MHz, DMSO-d6) δ: 13.27 (brs, 1H), 8.04 (s, 1H), 5.07 (s, 2H), 3.44 (s, 3H), 3.20 (s, 3H); m/z (ES)+: 239.04 [M +H]+.

References

[1] European Journal of Medicinal Chemistry, 2016, vol. 123, p. 379 - 396
[2] MedChemComm, 2017, vol. 8, # 1, p. 176 - 183
[3] Ricerca Scientifica, 1952, vol. 22, p. 1596,1599
[4] Journal of Medicinal Chemistry, 1999, vol. 42, # 14, p. 2527 - 2534
[5] Heterocyclic Communications, 2015, vol. 21, # 1, p. 13 - 18

Theophylline-7-acetic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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Theophylline-7-acetic acid Suppliers

Canada 1 China 150 Europe 1 Germany 4 India 15 Japan 1 Switzerland 1 Ukraine 1 United Kingdom 4 United States 27 Global 205

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View Lastest Price from Theophylline-7-acetic acid manufacturers

Shaanxi Dideu New Materials Co. Ltd

Product: Theophylline-7-acetic acid 652-37-9
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98.0%
Supply Ability: 10000KGS
Release date: 2025-02-27

Career Henan Chemical Co

Product: Theophylline-7-acetic acid 652-37-9
Price: US $7.00/g
Min. Order: 1g
Purity: 99%
Supply Ability: JD 01
Release date: 2019-09-15

652-37-9, Theophylline-7-acetic acidRelated Search:

Theophylline N,N-Dimethylformamide DIOXOPROMETHAZINE HCL Selenium dioxide Dimethyl sulfoxide Dimethyl fumarate Ethyl acetate Trichloroacetic acid Glycine Dimethyl sulfate ETHANE Dimethyl carbonate Aminophylline Ethyl 2-(Chlorosulfonyl)acetate Acetic acid Trifluoroacetic acid Dimethyl ether 1,4-Dioxane

THEOPHYLLINE-7-ACETIC ACID

THEOPHYLLINEACETIC ACID

(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid

7H-Purine-7-aceticacid, 1,2,3,6-tetrahydro-1,3-diMethyl-2,6-dioxo-

1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-purine-7-aceticaci

1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-aceticacid

7-(carboxymethyl)theophylline

7-theophyllinylaceticacid

acephylline

1,2,3,6-Tetrahydro-1,3-diMethyl-2,6-dioxo-7H-purine-7-acetic Acid

N-7-Theophyllineacetic

2-(1,3-DiMethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid

1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxop...

2-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetic acid, (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetic acid

Theophylline-ethylenediamine Impurity 8

2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetate

acidetheophylline-ethanoique-7

AKOS BBS-00003810

7-THEOPHYLLINE ACETIC ACID

ACEFYLLINE

(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-7-YL)-ACETIC ACID

1,3-DIMETHYLXANTHINE-7-ACETIC ACID

LABOTEST-BB LT00053164

theophyllin-7-ylacetic acid

7-Theophyline Acetic Acid

CAFFEINE CARBOXYLIC ACID

Carboxymethyltheophylline

THEOPHYLINE ACETIC ACID

Theophylline-7-aceticacid,98%

ACEFYLLINE (THEOPHYLLINE-7-ACETIC ACID)

Theophyllineacetic acid, 98+%

7-Theophyline Acetic Acid(Acephylline)

2-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetic acid

2-(p-Chlorphenoxy)-2-methylpropyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetate

7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- (9ci)

7-Theophyllinessigsaeure

7-Theophyllinylessigsaeure

837-27-4 (Hydrochloride salt)

Theophylline-7-aceti

acetyloxytheophylline

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid

Acefylline, 10 mM in DMSO

652-37-9

C9HN4O4

C9H1N4O4

CARBOXYLIC ACID

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