3-[(3H-Purin-6-ylamino)methyl]phenol

Basic Information

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CAS Number

75737-38-1

Molecular Formula

C12H11N5O

Molecular Weight

241.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

284-286 ºC

Density

1.49

SMILES

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C1=CC(=CC(=C1)O)CNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H11N5O/c18-9-3-1-2-8(4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)

InChIKey

BUDWTFCZGZYQHZ-UHFFFAOYSA-N

LogP

1.6705999999999996

Topological Polar Surface Area

86.72 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

277

Synonyms & References

English

Oprea1_312985
Phenol, 3-[(9H-purin-6-ylamino)methyl]-
Phenol, 3-[(1H-purin-6-ylamino)methyl]-
MFCD14155892
Z1587196600
CS-0043353
AKOS040759124
SCHEMBL638499
3-(((9H-purin-6-yl)amino)methyl)phenol
W-203735
3-[(7H-purin-6-ylamino)methyl]phenol
m-topolin
D93567
CHEMBL476449
3-[(9H-PURIN-6-YLAMINO)METHYL]PHENOL
Purine, 6-(3-hydroxybenzylamino)-
HY-112104
AS-77724
meta-TOPOLIN(mT)
meta-topolin
75737-38-1
11F10B4C-4EDD-4A56-852A-C6665F444D2F
DTXSID70468557
AKOS028109108
6-(3-hydroxybenzylamino)purine
META-TOPOLIN
Meta-Topolin

MDL Number

MFCD14155892

FAQ

What are the physical and chemical properties of 3-[(3H-Purin-6-ylamino)methyl]phenol (CAS: 75737-38-1)?

3-[(3H-Purin-6-ylamino)methyl]phenol is a crystalline solid with a molecular weight of approximately 260.23 g/mol. It has a high solubility in water and is less soluble in organic solvents. The compound exhibits basic reactivity and can undergo nucleophilic aromatic substitution reactions. It is stable under normal conditions but should be stored away from strong acids and bases to prevent degradation.

How is 3-[(3H-Purin-6-ylamino)methyl]phenol (CAS: 75737-38-1) typically synthesized?

3-[(3H-Purin-6-ylamino)methyl]phenol is commonly synthesized via a multi-step process involving the coupling of 6-aminopurine with phenylmagnesium bromide followed by acid work-up. The reaction is typically catalyzed by various Lewis acids and proceeds with high selectivity, yielding up to 95% purity. Optimized conditions and proper work-up procedures are essential for high yield and purity.

What industries use 3-[(3H-Purin-6-ylamino)methyl]phenol (CAS: 75737-38-1)?

3-[(3H-Purin-6-ylamino)methyl]phenol finds application in several industries, including pharmaceuticals, where it serves as a intermediates in drug synthesis. It is also used in the development of sensors and semiconductors due to its unique chemical properties. Its presence in polymers is limited but can be explored for specific applications requiring its functional groups.

What precautions should be taken when handling 3-[(3H-Purin-6-ylamino)methyl]phenol (CAS: 75737-38-1)?

When handling 3-[(3H-Purin-6-ylamino)methyl]phenol, it is crucial to use personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be carefully cleaned up using appropriate absorbents, and the area should be thoroughly washed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.