21404-94-4

Basic information

• Product Name: 2-methyl-2-phenylpropan-1-amine hydrochloride (1:1)
• Synonyms: 2-methyl-2-phenylpropan-1-amine hydrochloride
• CAS NO: 21404-94-4
• Molecular Formula: C₁₀H₁₅N*ClH
• Molecular Weight: 185.6937
• EINECS: 819-564-1
• Mol File: 21404-94-4.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 220.8°C at 760 mmHg
• Flash Point: 92.4°C
• Vapor Pressure: 0.111mmHg at 25°C
• CAS DataBase Reference: 2-methyl-2-phenylpropan-1-amine hydrochloride (1:1)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methyl-2-phenylpropan-1-amine hydrochloride (1:1)(21404-94-4)
• EPA Substance Registry System: 2-methyl-2-phenylpropan-1-amine hydrochloride (1:1)(21404-94-4)

Safety Data

• Hazardous Substances Data: 21404-94-4(Hazardous Substances Data)

Upstream product

• 35293-35-7 2-methyl-2-phenyl-1-propylmagnesium chloride 
• 1195-98-8 2-methyl-2-phenylpropionitrile 
• 140-29-4 phenylacetonitrile 
• 74-88-4 methyl iodide 

Downstream Products

• 1159997-94-0 N-(2-methyl-2-phenylpropyl)-4-(trifluoromethyl)benzamide 
• 248603-62-5 methyl 3-([(2S)-2-[(benzyloxy)carbonyl]amino-3-(1H-4-imidazolyl)propanoyl]-2-[(2-methyl-2-phenylpropyl)amino]-2-oxoethylamino)propanoate 
• 88422-79-1 N-(2-methyl-2-phenylpropyl)benzamide 

Relevant articles and documents

Rational design of cannabinoid type-1 receptor allosteric modulators: Org27569 and PSNCBAM-1 hybrids

Allosteric modulation offers an alternate approach to target the cannabinoid type-1 receptor (CB1) for therapeutic benefits. Examination of the two widely studied prototypic CB1 negative allosteric modulators (NAMs) Org27569 and PSNCBAM-1 revealed structural resemblance and similar structure–activity relationships (SARs). In silico docking and dynamics simulation studies using the crystal structure of CB1 co-bound with CP55,940 and Org27569 suggested that Org27569 and PSNCBAM-1 occupied the same binding pocket and several common interactions were present in both series with the CB1 receptor. A new scaffold was therefore designed by merging the key structural features from the two series and the hybrids retained these binding features in the in silico docking studies. In addition, one such hybrid displayed similar functions to Org27569 in dynamic simulations by preserving a key R2143.50-D3386.30 salt bridge and maintaining an antagonist-like Helix3-Helix6 interhelical distance. Based on these results, a series of hybrids were synthesized and assessed in calcium mobilization, [35S]GTPγS binding and cAMP assays. Several compounds displayed comparable potencies to Org27569 and PSNCBAM-1 in these assays. This work offers new insight of the SAR requirement at the allosteric site of the CB1 receptor and provides a new scaffold that can be optimized for the development of future CB1 allosteric modulators.

Direct Primary Amination of Alkylmetals with NH-Oxaziridine

A method for the primary electrophilic amination of primary, secondary, and tertiary organometallic substrates from a bench-stable NH-oxaziridine reagent is described. This facile and highly chemoselective transformation occurs at ambient temperature and without transition metal catalysts or purification by column chromatography to provide alkylamine products in a single step. Density functional theory (DFT) calculations revealed that, despite the basicity of alkylmetals, the direct NH-transfer pathway is favored over proton and O-transfer.

Functionalized alkyl and alenyl side chain derivatives of glycinamides as farnesyl transferase inhibitors

The present invention provides compounds of Formula (I). The present invention also provides a method of treating cancer and treating or preventing restenosis or atherosclerosis. Also provided by the present invention is a pharmaceutically acceptable comp