1-Ethyl theobromine

Modify Date: 2024-01-09 20:49:03

1-Ethyl theobromine Structure
1-Ethyl theobromine structure
 Common Name 1-Ethyl theobromine
CAS Number 39832-36-5 Molecular Weight 208.21700
Density 1.39g/cm3 Boiling Point 420.9ºC at 760 mmHg
Molecular Formula C9H12N4O2 Melting Point N/A
MSDS N/A Flash Point 208.4ºC

 Names

Name 1-ethyl-3,7-dimethylpurine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.39g/cm3
Boiling Point 420.9ºC at 760 mmHg
Molecular Formula C9H12N4O2
Molecular Weight 208.21700
Flash Point 208.4ºC
Exact Mass 208.09600
PSA 61.82000
Index of Refraction 1.656

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH2380000
CHEMICAL NAME :
Theobromine, 1-ethyl-
CAS REGISTRY NUMBER :
39832-36-5
BEILSTEIN REFERENCE NO. :
0225307
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H12-N4-O2
MOLECULAR WEIGHT :
208.25
WISWESSER LINE NOTATION :
T56 BN DN FNVNVJ B1 F1 H2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
61 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,113,1946

 Synthetic Route

Bromoethane structure

Bromoethane

CAS#:74-96-4

Theobromine structure

Theobromine

CAS#:83-67-0

~72%

1-Ethyl theobromine Structure

1-Ethyl theobromine

CAS#:39832-36-5

Literature: Hedayatullah, Mir Journal of Heterocyclic Chemistry, 1982 , vol. 19, p. 249 - 251
Theobromine structure

Theobromine

CAS#:83-67-0

Ethyl iodide structure

Ethyl iodide

CAS#:75-03-6

~3%

1-Ethyl theobromine Structure

1-Ethyl theobromine

CAS#:39832-36-5

Literature: Bier, Dirk; Hartmann, Rudolf; Holschbach, Marcus Rapid Communications in Mass Spectrometry, 2013 , vol. 27, # 8 p. 885 - 895
2-ethoxy-3,7-dimethyl-3,7-dihydro-purin-6-one structure

2-ethoxy-3,7-di...

CAS#:16017-78-0

~%

1-Ethyl theobromine Structure

1-Ethyl theobromine

CAS#:39832-36-5

Literature: Kowalska, Alicja; Maslankiewicz, Andrzej; Syrek, Barbara; Cieplinski, Piotr Monatshefte fuer Chemie, 1985 , vol. 116, p. 341 - 352
Ethyl iodide structure

Ethyl iodide

CAS#:75-03-6

~%

1-Ethyl theobromine Structure

1-Ethyl theobromine

CAS#:39832-36-5

Literature: Biltz; Max Justus Liebigs Annalen der Chemie, 1921 , vol. 423, p. 320
Diethyl sulfate structure

Diethyl sulfate

CAS#:64-67-5

Theobromine structure

Theobromine

CAS#:83-67-0

~%

1-Ethyl theobromine Structure

1-Ethyl theobromine

CAS#:39832-36-5

Literature: Biilmann; Berg Chemische Berichte, 1930 , vol. 63, p. 2188,2202
Theobromine structure

Theobromine

CAS#:83-67-0

Ethyl 4-methylbenzenesulfonate structure

Ethyl 4-methylb...

CAS#:80-40-0

~%

1-Ethyl theobromine Structure

1-Ethyl theobromine

CAS#:39832-36-5

Literature: Rodionow Bulletin de la Societe Chimique de France, 1926 , vol. <4> 39, p. 318 Bulletin de la Societe Chimique de France, 1929 , vol. <4> 45, p. 119

 Synonyms

1-Ethyl-3,7-dimethyl-xanthine
Theobromine,1-ethyl
1H-Purine-2,6-dione,1-ethyl-3,7-dihydro-3,7-dimethyl
1-ethyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
1-Ethyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
1-Aethyl-3,7-dimethyl-3,7-dihydro-purin-2,6-dion
1-Ethyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-Ethyl theobromine
3,7-dimethyl-1-ethyl-xanthine
ethyl-1 dimethyl-3,7-xanthine
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