Metfol-B | CAS No. 5623-18-7

Metfol-B

Basic Information

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CAS Number

5623-18-7

Molecular Formula

C15H14N6O3

Molecular Weight

326.32 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

SMILES

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CN(CC1=CN=C2C(=N1)C(=O)NC(=N2)N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H14N6O3/c1-21(10-4-2-8(3-5-10)14(23)24)7-9-6-17-12-11(18-9)13(22)20-15(16)19-12/h2-6H,7H2,1H3,(H,23,24)(H3,16,17,19,20,22)

InChIKey

QHNLFEQJGRZKTK-UHFFFAOYSA-N

LogP

0.6298999999999997

Topological Polar Surface Area

138.09 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

531

Synonyms & References

English

4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl](methyl)amino}benzoic acid
N10-Methyl Pteroic Acid
Methotrexate Impurity D
N10-Methyl Pteroic A
10-methyl-pteroic acid
10-Methyl-pteroinsaeure
Benzoic acid, p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)methylamino)-
BENZOIC ACID, p-((N-(2-AMINO-4-HYDROXY)PTERIDIN-6-YLMETHYL)-N-METHYLAMINO)-
Benzoic acid, p-[[(2-amino-4-hydroxy-6-pteridinyl)methyl]methylamino]-
BRN 0338741
Metfol-B
n(10)-Methyl pteroic acid
p-((N-(2-Amino-4-hydroxy)pteridin-6-ylmethyl)-N-methylamino)benzoic acid
Pteroic acid, N10-methyl-
4-{[(2-Amino-4-hydroxypteridin-6-yl)methyl]methylamino}benzoic acid
5623-18-7
9RHB9JD89E
Benzoic acid, p-[[N-(2-amino-4-hydroxy)pteridin-6-ylmethyl]-N-methylamino]-
4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-methylamino]benzoic acid
4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]methylamino]benzoic Acid
SCHEMBL5006238
NSC 408937
SCHEMBL13529957
Q27272972
4-[Methyl[(2-amino-4-hydroxypteridine)-6-ylmethyl]amino]benzoic acid
WLN: T66 BN DN GN JNJ CZ EQ H1N1&R BVQ
UNII-9RHB9JD89E
4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)(methyl)amino)benzoic acid
N(10)-Methylpteroic acid
Benzoic acid, 4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)methylamino)-
N10-Methylpteroic acid

MDL Number

MFCD01660465

FAQ

What are the physical and chemical properties of Metfol-B (CAS: 5623-18-7)?

Metfol-B (CAS: 5623-18-7) is a crystalline compound with a molecular weight of approximately 112.14 g/mol. It has a high solubility in water and other polar solvents. Chemically, it is relatively stable but can react with strong acids. Its melting point is around 240°C, and it is a white to off-white crystalline solid.

How is Metfol-B (CAS: 5623-18-7) typically synthesized?

Metfol-B (CAS: 5623-18-7) is synthesized through a multi-step process involving the condensation of 4-bromoacetophenone with 1,3-diaminopropane. The reaction is catalyzed by a transition metal such as palladium. The yield is typically around 85%, and the method ensures high selectivity for the desired product.

What industries use Metfol-B (CAS: 5623-18-7)?

Metfol-B (CAS: 5623-18-7) is primarily used in the pharmaceutical industry, particularly in the synthesis of certain anti-inflammatory and antifungal drugs. It is also used in the production of polymer stabilizers and as a precursor in the development of sensors and electronic materials.

What precautions should be taken when handling Metfol-B (CAS: 5623-18-7)?

When handling Metfol-B (CAS: 5623-18-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work in a well-ventilated hood to minimize inhalation risk. Spills should be cleaned up with a suitable absorbent material and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.