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Theophylline-7-acetic acid

Theophylline-7-acetic acid Structure
Theophylline-7-acetic acid structure
CAS No.
652-37-9
Chemical Name:
Theophylline-7-acetic acid
Synonyms
ACEFYLLINE;CAFFEINE CARBOXYLIC ACID;acephylline;7-THEOPHYLLINE ACETIC ACID;AKOS BBS-00003810;Theophylline-7-aceti;acetyloxytheophylline;N-7-Theophyllineacetic;LABOTEST-BB LT00053164;THEOPHYLLINEACETIC ACID
CBNumber:
CB4295321
Molecular Formula:
C9H10N4O4
Molecular Weight:
238.2
MDL Number:
MFCD00022832
MOL File:
652-37-9.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-07-27 17:00:41
Product description Number Pack Size Price
THEOPHYLLINE-7-ACETIC ACID AldrichCPR S410152 1 unit $197
THEOPHYLLINE-7-ACETIC ACID Aldrich S410152 1g $179
Theophylline-7-acetic acid ≥99.0% (T) 88310 100g $71.1
Theophylline-7-acetic Acid >98.0%(HPLC)(T) T2941 25g $30
Acefylline ≥98% 33996 5mg $62
More product size
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Theophylline-7-acetic acid Properties

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
Cosmetics Ingredients Functions SKIN CONDITIONING
LogP -0.490 (est)
CAS DataBase Reference 652-37-9(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII M494UE2YEP

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  2
RTECS  UO7451300
HS Code  2939.59.0000
REACH Registrations Active
NFPA 704
1
2 1

Theophylline-7-acetic acid price More Price(68)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich S410152 THEOPHYLLINE-7-ACETIC ACID AldrichCPR 652-37-9 1 unit $197 2026-04-30 Buy
Sigma-Aldrich S410152 THEOPHYLLINE-7-ACETIC ACID Aldrich 652-37-9 1g $179 2024-03-01 Buy
Sigma-Aldrich 88310 Theophylline-7-acetic acid ≥99.0% (T) 652-37-9 100g $71.1 2022-05-15 Buy
TCI Chemical T2941 Theophylline-7-acetic Acid >98.0%(HPLC)(T) 652-37-9 25g $30 2026-04-30 Buy
Cayman Chemical 33996 Acefylline ≥98% 652-37-9 5mg $62 2026-04-30 Buy
Product number Packaging Price Buy
S410152 1 unit $197 Buy
S410152 1g $179 Buy
88310 100g $71.1 Buy
T2941 25g $30 Buy
33996 5mg $62 Buy

Theophylline-7-acetic acid Chemical Properties,Uses,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

7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, ethyl ester

7029-96-1

Theophylline-7-acetic acid

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

6-amino-5-formamido-1,3-dimethyluracil 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, ethyl ester Sodium chloroacetate Water Lithium hydroxide monohydrate
Tetrahydrofuran

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Preparation Products

2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetyl chloride methyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate

Theophylline-7-acetic acid Suppliers

Global( 203)Suppliers
Supplier Tel Email Country ProdList Advantage
career henan chemical co 		+86-0371-86658258 sales@coreychem.com China 29766 58
CONIER CHEM AND PHARMA LIMITED 		sales@conier.com China 49906 58
SIMAGCHEM CORP 		+86-5922680277 +86-13806087780 sale@simagchem.com China 17339 58
TargetMol Chemicals Inc. 		+1-781-999-5354; +1-00000000000 marketing@targetmol.com United States 32431 58
Hefei TNJ Chemical Industry Co.,Ltd. 		+86-0551-65418671 +86-189 4982 3763 sales@tnjchem.com China 34526 58
Dideu Industries Group Limited 		+86-29-89586680 +86-15129568250 1059@dideu.com China 29096 58
AFINE CHEMICALS LIMITED 		+86-571-85134551 +86-18958018566 info@afinechem.com China 15058 58
Dayang Chem (Hangzhou) Co.,Ltd. 		+86-0571-88938639 17705817739 info@dycnchem.com China 52693 58
Labnetwork lnc. 		+86-27-50766799 +86-18062016861 contact@labnetwork.com China 19981 58
Alfa Chemistry 		+1-5166625404; Info@alfa-chemistry.com United States 20000 58
Supplier Advantage
career henan chemical co 		58
CONIER CHEM AND PHARMA LIMITED 		58
SIMAGCHEM CORP 		58
TargetMol Chemicals Inc. 		58
Hefei TNJ Chemical Industry Co.,Ltd. 		58
Dideu Industries Group Limited 		58
AFINE CHEMICALS LIMITED 		58
Dayang Chem (Hangzhou) Co.,Ltd. 		58
Labnetwork lnc. 		58
Alfa Chemistry 		58

View Lastest Price from Theophylline-7-acetic acid manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Acefylline pictures 2026-07-27 Acefylline
652-37-9
 $50.00 99.95% 10g TargetMol Chemicals Inc.
Theophylline-7-acetic acid pictures 2026-06-30 Theophylline-7-acetic acid
652-37-9
 1KG 98.0% 10000KGS Shaanxi Dideu New Materials Co. Ltd
Theophylline-7-acetic acid pictures 2019-09-17 Theophylline-7-acetic acid
652-37-9
 $7.00 1g 99% Career Henan Chemical Co
  • Acefylline pictures
  • Acefylline
    652-37-9
  • $50.00
  • 99.95%
  • TargetMol Chemicals Inc.

Theophylline-7-acetic acid Spectrum

Theophylline-7-acetic acid(652-37-9)1HNMR

652-37-9(Theophylline-7-acetic acid)Related Search:

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

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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 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 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 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 7-THEOPHYLLINE ACETIC ACID acephylline Theophylline (Acetic acid NO) 652-37-9 C9HN4O4 C9H1N4O4 CARBOXYLIC ACID Building Blocks Heterocyclic Building Blocks Purines Pharmaceuticals Organic acids Bases & Related Reagents Heterocycles Intermediates & Fine Chemicals Nucleotides