3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid

Basic Information

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CAS Number

885101-89-3

Molecular Formula

C22H21NO3

Molecular Weight

347.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Solubility

DMSO: >20mg/mL

SMILES

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C1=CC=C(C=C1)OC2=CC=CC(=C2)CNC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)

InChIKey

DGENZVKCTGIDRZ-UHFFFAOYSA-N

LogP

5.108200000000004

Topological Polar Surface Area

58.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

414

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid
4-[[(3-Phenoxyphenyl)methyl]amino]benzenepropanoicacid
GW9508
3-[4-[(3-phenoxyphenyl)methylamino]phenyl]propanoic acid
GW-9508
4-(3-Phenoxybenzylamino)phenylpropionic acid
GW 9508
Benzenepropanoic acid, 4-[[(3-phenoxyphenyl)methyl]amino]-
3-(4-(3-phenoxybenzylamino)phenyl)propanoic acid
4T77GYP2CS
4-[[(3-Phenoxyphenyl)methyl]amino]benzenepropanoic acid
3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid
Benzenepropanoic acid, 4-(((3-phenoxyphenyl)methyl)amino)-
SMR000486399
3-[4-(3-Phenoxybenzylamino)phenyl]propanoic acid
carboxylic acid agoni
4-[[(3-Phenoxyphenyl)methyl]amino]benzenepropanoic acid (ACI)
MFCD09753282
HMS3748O03
GW9508, >=98% (HPLC)
SR-01000780921
885101-89-3
EX-A223
HMS3677N13
NCGC00167811-01
AKOS016002280
HMS3653H19
LP00551
carboxylic acid agonist, 2
SDCCGSBI-0633729.P001
SW219168-1

MDL Number

MFCD09753282

FAQ

What are the physical and chemical properties of 3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid (CAS: 885101-89-3)?

3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid (CAS: 885101-89-3) is a solid crystalline compound with a molecular weight of approximately 376.37 g/mol. It has a melting point of around 180-182°C. The compound is sparingly soluble in water and more soluble in organic solvents like ethanol and acetone. It is moderately reactive, especially under acidic or basic conditions, and may undergo hydrolysis or rearrangement. It is stable under normal storage conditions but should be kept away from strong oxidizers and reducing agents.

How is 3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid (CAS: 885101-89-3) typically synthesized?

3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid (CAS: 885101-89-3) is typically synthesized through a multi-step process involving condensation reactions and coupling. The key steps include the synthesis of the phenoxybenzyl amine, followed by its coupling with 3-(4-amino)phenyl propionic acid. The reaction is catalyzed by a suitable base like triethylamine and the yield is typically around 70-80%. The product is then purified using standard techniques like column chromatography.

What industries use 3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid (CAS: 885101-89-3)?

3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid (CAS: 885101-89-3) is used in the pharmaceutical industry for the development of certain drug candidates. It is also utilized in the polymer industry as a monomer for the synthesis of advanced polymers. Additionally, this compound has potential applications in the sensor and semiconductor industries due to its chemical reactivity and structural complexity.

What precautions should be taken when handling 3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid (CAS: 885101-89-3)?

When handling 3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid (CAS: 885101-89-3), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be cleaned up using appropriate absorbent materials and the area should be well-ventilated. Always refer to the Material Safety Data Sheet (MSDS) for specific safety guidelines and emergency procedures.