(E)-4,4,4-TRIFLUORO-1-PHENYL-BUT-2-EN-1-ONE

Modify Date: 2024-01-02 22:24:43

(E)-4,4,4-TRIFLUORO-1-PHENYL-BUT-2-EN-1-ONE Structure
(E)-4,4,4-TRIFLUORO-1-PHENYL-BUT-2-EN-1-ONE structure
Common Name (E)-4,4,4-TRIFLUORO-1-PHENYL-BUT-2-EN-1-ONE
CAS Number 69304-49-0 Molecular Weight 217.02000
Density 1.881g/cm3 Boiling Point N/A
Molecular Formula C6H5BrN2O2 Melting Point 189-194ºC (dec.)(lit.)
MSDS USA Flash Point N/A

 Names

Name 5-[(E)-2-bromoethenyl]-1H-pyrimidine-2,4-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.881g/cm3
Melting Point 189-194ºC (dec.)(lit.)
Molecular Formula C6H5BrN2O2
Molecular Weight 217.02000
Exact Mass 215.95300
PSA 65.72000
LogP 0.42880
Index of Refraction 1.685

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV9020500
CHEMICAL NAME :
2,4(1H,3H)-Pyrimidinedione, 5-(2-bromoethenyl)-, (E)-
CAS REGISTRY NUMBER :
69304-49-0
BEILSTEIN REFERENCE NO. :
0744244
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H5-Br-N2-O2
MOLECULAR WEIGHT :
217.04

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
200 mg/L
REFERENCE :
LIFSAK Life Sciences. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1-8, 1962-69; V.14- 1974- Volume(issue)/page/year: 38,281,1986

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR NONH for all modes of transport
RTECS UV9020500

 Synthetic Route

~86%

(E)-4,4,4-TRIFLUORO-1-PHENYL-BUT-2-EN-1-ONE Structure

(E)-4,4,4-TRIFL...

CAS#:69304-49-0

Literature: Rega Instituut VZW; University of Birmingham Patent: US4424211 A1, 1984 ;

~82%

(E)-4,4,4-TRIFLUORO-1-PHENYL-BUT-2-EN-1-ONE Structure

(E)-4,4,4-TRIFL...

CAS#:69304-49-0

Literature: Eger; Jalalian; Schmidt Journal of Heterocyclic Chemistry, 1995 , vol. 32, # 1 p. 211 - 218

~%

(E)-4,4,4-TRIFLUORO-1-PHENYL-BUT-2-EN-1-ONE Structure

(E)-4,4,4-TRIFL...

CAS#:69304-49-0

Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 1665 - 1670

 Articles21

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Biochemical modulation of the catabolism and tissue uptake of the anticancer drug 5-fluorouracil by 5-bromovinyluracil: assessment with metabolic (19)F MR imaging.

Magn. Reson. Med. 42(5) , 936-43, (1999)

Using chemical shift-selective (19)F magnetic resonance (MR) imaging, we investigated the biomodulating action of 5-bromovinyluracil (BVU) on the degradation of the anticancer drug 5-fluorouracil (5-F...

Deoxyribosyl exchange reactions leading to the in vivo generation and regeneration of the antiviral agents (E)-5-(2-bromovinyl)-2'-deoxyuridine, 5-ethyl-2'-deoxyuridine and 5-(2-chloroethyl)-2'-deoxyuridine.

Biochem. Pharmacol. 35(10) , 1647-53, (1986)

In the rat, the highly potent anti-herpes drug (E)-5-(2-bromovinyl)-2'-deoxyuridine (BVdUrd) is rapidly converted to its base (E)-5-(2-bromovinyl)uracil (BVUra) through the action of pyrimidine nucleo...

Synthesis and antiviral activity of (E)-5-(2-bromovinyl)uracil and (E)-5-(2-bromovinyl)uridine.

J. Med. Chem. 29 , 213, (1986)

(E)-5-(2-Bromovinyl)uracil (BVU) and (E)-5-(2-bromovinyl)uridine (BVRU) were synthesized starting from 5-formyluracil via (E)-5-(2-carboxyvinyl)uracil or starting from 5-iodouridine via (E)-5-(2-carbo...

 Synonyms

BV uracil
5-bromovinyluracil
Bromovinyluracil
MFCD00132885