77318-04-8

Basic information

• Product Name: 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
• Synonyms: 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
• CAS NO: 77318-04-8
• Molecular Weight: 193.289
• Mol File: 77318-04-8.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine(77318-04-8)
• EPA Substance Registry System: 3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine(77318-04-8)

Safety Data

• Hazardous Substances Data: 77318-04-8(Hazardous Substances Data)

Upstream product

• 2398-37-0 3-methoxyphenyl bromide 
• 5407-04-5 3-(dimethylamino)propyl chloride hydrochloride 
• 1236981-85-3 3-(3-methoxyphenyl)propanoic acid dimethylamide 
• 109-54-6 3-(Dimethylamino)propyl chloride 
• 120-15-0 6-methoxy-1,2,3,4-tetrahydroquinoline 
• 5263-87-6 6-methoxy quinoline 
• 6943-97-1 (m-methoxyphenyl)propyl bromide 
• 124-40-3 dimethyl amine 

Relevant articles and documents

Structure-Based Design and Discovery of New M2 Receptor Agonists

Muscarinic receptor agonists are characterized by apparently strict restraints on their tertiary or quaternary amine and their distance to an ester or related center. On the basis of the active state crystal structure of the muscarinic M2 receptor in complex with iperoxo, we explored potential agonists that lacked the highly conserved functionalities of previously known ligands. Using structure-guided pharmacophore design followed by docking, we found two agonists (compounds 3 and 17), out of 19 docked and synthesized compounds, that fit the receptor well and were predicted to form a hydrogen-bond conserved among known agonists. Structural optimization led to compound 28, which was 4-fold more potent than its parent 3. Fortified by the discovery of this new scaffold, we sought a broader range of chemotypes by docking 2.2 million fragments, which revealed another three micromolar agonists unrelated either to 28 or known muscarinics. Even pockets as tightly defined and as deeply studied as that of the muscarinic reveal opportunities for the structure-based design and the discovery of new chemotypes.

Direct aminoalkylation of arenes and hetarenes via Ni-catalyzed negishi cross-coupling reactions

A direct room-temperature Ni-catalyzed cross-coupling of aminoalkylzinc halides, readily available from the corresponding aminoalkyl chlorides via Grignard reagents, with aryl and hetaryl electrophiles, allows a convenient one-step preparation of aminoalk

Synthesis and evaluation of novel alkylpiperazines as potential dopamine antagonists

Several alkylpiperazines, monocyclic subfragments of known tricyclic neuroleptic agents, were evaluated as dopamine antagonists in the isolated rabbit ear artery preparation. Compounds prepared and evaluated are of the general structure Ar-X-(CH2)(n)-Y, where X = C, O, and N, n = 1-3, and Y, for the most part, was 4-methylpiperazine. Those compounds where X = NH, n = 3, and X = (Z)-CH=CH, n = 2, with an electron-witdrawing group meta to the side chain, possess dopamine antagonist activity comparable to that of clozapine. It is concluded that the entire tricyclic structure of phenothiazine-like agents (or at least more than a monocyclic ring system) is necessary for optimal activity as a dopamine antagonist in the receptor preparation used in this study.