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

Basic Information

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CAS Number

137281-39-1

Molecular Formula

C15H14N4O3

Molecular Weight

298.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

>270°C

Boiling Point

609.2°C at 760 mmHg

Density

1.559

Flash Point

322.2±34.3 °C

Refractive Index

1.746

SMILES

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C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)O

InChI

InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)10(7-17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)

InChIKey

AIZPFZIKHIJCQX-UHFFFAOYSA-N

LogP

1.3168

Topological Polar Surface Area

124.85999999999999 Å²

Hydrogen Bond Donor/Acceptor

5 / 7

Complexity

485

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo [2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
AS-17591
J-006993
Pemetrexed acid
4 -[2-(2- AMINO 4 ,7 DIHYDRO-4-OXO-1H-PYMOL[2,3-D] PYRIMODIN-5-YL) ETHYL] BENZOIC ACID
SCHEMBL9046718
4-[2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo[2,3-d]pyrimidine-5-yl)ethyl]benzoic acid
BCP22609
J-514224
Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]- (9CI)
4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
EN300-98763
4-[2-(2-amino-4,7-dihydro-4-oxo-1h-pyrrolo[2,3-d]-pyrimidin-5-yl)ethyl]benzoic acid
UNII-JBZ211669I
137281-39-1
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-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-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoicacid
C15H14N4O3
AKOS015897612
4-(2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid
AKOS037643612
2-Amino-4,7-dihydro-5-[2-[4-(carboxy)phenyl]ethyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine
SY057992
4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid
CS-0109534
4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-yl)ethyl] benzoic acid
4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-Benzoic Acid
DTXSID80430861
PEMETREXED IMPURITY 2

MDL Number

MFCD09833742

Customs Code

2933990090

FAQ

What is 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid (CAS: 137281-39-1)?

4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid (CAS: 137281-39-1) is a synthetic organic compound with the chemical formula C13H13N3O3. It features a benzoic acid moiety linked to a pyrrolo[2,3-d]pyrimidine ring system, containing amino and oxo functional groups. The compound is known for its potential role in pharmaceutical applications due to its structural complexity and reactivity.

What are the main uses of 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid (CAS: 137281-39-1)?

This compound is primarily used in pharmaceutical research as an intermediate for developing antiviral and anticancer drugs. Its unique structure makes it valuable in synthesizing bioactive molecules targeting specific enzymes or receptors. It may also find applications in organic chemistry for functional group modifications and in industrial processes requiring high chemical stability and reactivity.

Is 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid (CAS: 137281-39-1) safe?

The safety of 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid (CAS: 137281-39-1) depends on handling conditions. It should be treated with care, as it may cause skin or eye irritation. Proper protective equipment, such as gloves and goggles, is recommended. Safety data sheets (SDS) should be consulted for detailed guidelines, and it is generally not classified as a high-toxicity substance under standard exposure scenarios.

How should 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid (CAS: 137281-39-1) be stored?

This compound should be stored in a cool, dry place (ideally 2-8°C), away from light and moisture. Keep in a sealed, airtight container to maintain stability. Avoid exposure to incompatible materials, and ensure storage in a well-ventilated area. Long-term storage may require desiccants to prevent degradation, and the CAS number 137281-39-1 should be noted for reference in safety and handling protocols.