4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid

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Names

[ CAS No. ]:
137281-39-1

[ Name ]:
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid

[Synonym ]:
4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid
4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-
4-[2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
2-Amino-4,7-dihydro-5-[2-[4-(carboxy)phenyl]ethyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine Hydrate
EINECS 429-790-9
4-(2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO(2,3-D)-PYRIMIDINE-5-YL) ETHYL) BENZOIC ACID

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
609.2±65.0 °C at 760 mmHg

[ Melting Point ]:
>270ºC (dec.)

[ Molecular Formula ]:
C15H14N4O3

[ Molecular Weight ]:
298.297

[ Flash Point ]:
322.2±34.3 °C

[ Exact Mass ]:
298.106598

[ PSA ]:
124.86000

[ LogP ]:
1.96

[ Vapour Pressure ]:
0.0±1.8 mmHg at 25°C

[ Index of Refraction ]:
1.746

[ Storage condition ]:
-20?C Freezer

MSDS

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Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2933990090

Synthetic Route

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Precursor & DownStream

Precursor

  • 4-[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-4-nitrobutyl]benzoic acid ethyl ester
  • 2-Methyl-2-propanyl 4-formylbenzoate
  • methyl 3-[4-(tert-butoxycarbonyl)phenyl]propenoate
  • 3-(4-Carboethoxy)phenyl propanal
  • Ethyl 4-iodobenzoate
  • tert-Butyl 4-(3-hydroxy-1-propyl)benzoate
  • 3-(4-[2,2-dimethylethyl]carboxyphenyl)-1-propanal

DownStream

  • PEMETREXED DIETHYL ESTER (L-GLUTAMIC ACID, N-[4-[2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL]BENZOYL]-, 1,5-DIETHYL ESTER )
  • Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbenzenesulfonate

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%