5-allyl-5-phenylbarbituric acid

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Names

[ CAS No. ]:
115-43-5

[ Name ]:
5-allyl-5-phenylbarbituric acid

[Synonym ]:
Allophenylum
Alphenal
Phenallymal
Alpheba
Alphasem
Phenallymalum
Prophenal
5-Phenyl-5-allylbarbitursaeure
5-Allyl-5-phenyl-barbitursaeure
5-allyl-5-phenyl-pyrimidine-2,4,6-trione
Alphenate
Fenallymal
5-Allyl-5-phenylbarbituric acid
5-phenyl-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Allofenyl

Chemical & Physical Properties

[ Density]:
1.222g/cm3

[ Molecular Formula ]:
C13H12N2O3

[ Molecular Weight ]:
244.24600

[ Exact Mass ]:
244.08500

[ PSA ]:
75.27000

[ LogP ]:
1.52410

[ Index of Refraction ]:
1.549

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ0460000
CHEMICAL NAME :
Barbituric acid, 5-allyl-5-phenyl-
CAS REGISTRY NUMBER :
115-43-5
BEILSTEIN REFERENCE NO. :
0227510
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H12-N2-O3
MOLECULAR WEIGHT :
244.27
WISWESSER LINE NOTATION :
T6VMVMV FHJ F2U1 FR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
233 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SFTIAE Svensk Farmaceutisk Tidskrift. Swedish Journal of Pharmacy. (POB 1136, Stockholm 111 81, Sweden) V.1- 1897- Volume(issue)/page/year: 56,31,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
280 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 17,390,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
265 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 17,390,1962

Safety Information

[ HS Code ]:
2933540000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-phenyl-
  • allyl bromide
  • allyl toluene-4-sulfonate

DownStream

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-hydroxypropyl)-5-phenyl-

Customs

[ HS Code ]: 2933540000

[ Summary ]:
2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%

Related Compounds

  • 1-Benzyl-5-allyl-5-phenylbarbituric acid
  • 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid
  • 5-Allyl-1-phenylbarbituric acid
  • 5-Allyl-5-piperonylbarbituric acid
  • 5-ethyl-5-phenylbarbituric acid, compound with 1,2-dihydro-4-isopropyl-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1)
  • 5-Butyl-5-phenylbarbituric acid