4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester

CAS NO.：155405-80-4
Empirical Formula: C16H16N4O3
Molecular Weight: 312.32
MDL number: MFCD17976681
EINECS: 1806241-263-5
Update Date: 2023-09-14 16:39:43

What is 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester?

Chemical properties

Off-White to Pale Pink Solid

The Uses of 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester

An intermediate in the preparation of Pemetrexed Disodium (P219500) and its derivatives as anticancer agents.

What are the applications of Application

4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid Methyl Ester is a Pemetrexed Disodium intermediate

Properties of 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester

Melting point:	>220 °C
Density	1.44
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
solubility	DMSO (Slightly), Methanol (Very Slightly, Heated)
form	Solid
pka	11.21±0.20(Predicted)
color	Off-White to Pale Beige
InChI	InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-18-13-12(11)14(21)20-16(17)19-13/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)

Safety information for 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation
Precautionary Statement Codes	P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention.

Computed Descriptors for 4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester

InChIKey	GDEKSBCRJKAARB-UHFFFAOYSA-N
SMILES	C(OC)(=O)C1=CC=C(CCC2C3C(=O)NC(N)=NC=3NC=2)C=C1

4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester manufacturer

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product: Methyl 4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoate 98%

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product: Methyl 4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoate 155405-80-4 98%

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PeMetrexed IMpurity D