104272-98-2

Basic information

• Product Name: Carbamic acid, methyl(phenylmethyl)-, 2-methylpropyl ester
• CAS NO: 104272-98-2
• Molecular Formula: C13H19NO2
• Molecular Weight: 221.299
• Mol File: 104272-98-2.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Carbamic acid, methyl(phenylmethyl)-, 2-methylpropyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, methyl(phenylmethyl)-, 2-methylpropyl ester(104272-98-2)
• EPA Substance Registry System: Carbamic acid, methyl(phenylmethyl)-, 2-methylpropyl ester(104272-98-2)

Safety Data

• Hazardous Substances Data: 104272-98-2(Hazardous Substances Data)

Upstream product

• 56583-58-5 N-tert-butoxycarbonyl-3-(2-naphthyl)-L-alanine 
• 103-67-3 benzyl-methyl-amine 
• 543-27-1 isobutyl chloroformate 
• 157917-75-4 N-methyl N-propargyl benzylamine N-oxide 
• 104272-90-4 isobutyl S-3,6-diisopropylpyrazin-2-ylthiolcarbonate 
• 104272-87-9 2-isobutoxycarbonyloxy-3,6-diisopropylpyrazine 

Relevant articles and documents

Gas chromatographic determination of pargyline and pargyline amine metabolites after derivatization with isobutyl chloroformate

Pargyline (I) and four of its major amine metabolites, N-benzylpropargylamine (II), N-methylpropargylamine (IV), N-benzylmethylamine (VI) and pargyline N-oxide (VIII), were determined by g.l.c. after reaction with isobutyl chloroformate in a two-phase sys

Process development of (2-nitrophenylcarbamoyl)-(S)-prolyl-(S)-3-(2-naphthyl)alanyl-n-benzyl-n- methylamide (SDZ NKT343)

(2-Nitrophenylcarbamoyl)-(S)-prolyl-(S)-3-(2-naphthyl)alanyl-N-benzyl-N- methylamide (1; SDZ NKT343) is a human NK-1 tachykinin receptor antagonist. The development of a robust process for a multikilogram scale, chromatography-free preparation of this compound is described. The new four-step synthesis was based on a convergent approach, which utilized a peptide coupling of 1-[(2-nitrophenylamino)carbonyl]-L-proline (11) with free base of (S)-3-(2-naphthyl)alanyI-N-benzyl-N-methylamide hydrochloride (4) as the key step in the presence of 1,3-dicyclohexylcarbodiimide and 1-hydroxybenzotriazole as coupling agents. A scale-up of the well-known mixed anhydride coupling method, using isobutyl chloroformate, to produce 4 was found to be problematic due to coupling of the amine at the undesired carbonyl group of the mixed anhydride. This problem was overcome. The drug substance, initially an amorphous powder, was obtained with the desired purity without any chromatography. A process for crystallization of 1 was also developed.