113322-99-9

Basic information

• Product Name: Carbamic acid, [(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-, 1,1-dimethylethyl ester
• CAS NO: 113322-99-9
• Molecular Formula: C14H21NO3
• Molecular Weight: 251.326
• Mol File: 113322-99-9.mol
• Article Data: 17

Chemical Properties

• CAS DataBase Reference: Carbamic acid, [(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, [(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-, 1,1-dimethylethyl ester(113322-99-9)
• EPA Substance Registry System: Carbamic acid, [(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-, 1,1-dimethylethyl ester(113322-99-9)

Safety Data

• Hazardous Substances Data: 113322-99-9(Hazardous Substances Data)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 186431-89-0 tert-butyl (S)-(1-morpholino-1-oxopropan-2-yl)carbamate 
• 15761-38-3 L-N-Boc-Ala 
• 138371-45-6 2-N-(tert-butoxycarbonyl)amino-1-phenyl-1-propanone 
• 16735-19-6 2-amino-1-phenylpropan-1-one hydrochloride 
• 19437-20-8 2-(1-oxo-1-phenylpropan-2-yl) isoindoline-1,3-dione 
• 2114-00-3 2-bromo-1-phenyl-1-propanone 
• 93-55-0 1-phenyl-propan-1-one 
• 108-86-1 bromobenzene 
• 146553-06-2 tert-butyl {(S)-1-[methoxy(methyl)amino]-1-oxopropan-2-yl}carbamate 
• 79821-73-1 (S)-N-(1-Methyl-2-oxo-2-phenylethyl)carbamidsaeure-(tert-butyl)ester 
• 180323-00-6 (R)-phenyl{(S)-1-[(R)-1-phenylethyl]aziridin-2-yl}methanol 
• 492-41-1 (1R,2S)-norephedrine 

Downstream Products

• 1028459-20-2 (1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-amine 
• 1196452-04-6 1-({3-[5-({(1R,2S)-2-[(2,2-difluoropropanoyl)amino]-1-phenylpropyl}oxy)-1H-indazol-1-yl]phenyl}carbonyl)-D-prolinamide 
• 1196452-20-6 1-({3-[5-({(1R,2S)-2-[(2,2-difluoropropanoyl)amino]-1-phenylpropyl}oxy)-1H-indazol-1-yl]phenyl}carbonyl)-L-prolinamide 
• 1196452-19-3 3-[5-({(1R,2S)-2-[(2,2-difluoropropanoyl)amino]-1-phenylpropyl}poxy)-1H-indazol-1-yl]-N-[(3R)-2-oxotetrahydrofuran-3-yl]benzamide 
• 1196452-25-1 3-[5-({(1R,2S)-2-[(2,2-difluoropropanoyl)amino]-1-phenylpropyl}oxy)-1H-indazol-1-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide 
• 1196452-44-4 isobutyl 3-(5-((1R,2S)-2-amino-1-phenylpropoxy)-1H-indazol-1-yl)benzoate 
• 1196452-48-8 3-(5-((1R,2S)-2-(2,2-difluoropropanamido)-1-phenylpropoxy)-1H-indazol-1-yl)benzoic acid 
• 16251-45-9 (4S,5R)-4-methyl-5-phenyl-oxazolidin-2-one 
• 1091606-65-3 (4S,5R)-4-methyl-2,2-dioxo-5-phenyl-2γ6-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester 
• 1206227-44-2 C₁₄H₁₉NO₄S 
• 72739-14-1 (-)-Cathinone hydrochloride 
• 492-39-7 (1S,2S)-2-amino-1-phenylpropanol 
• 17097-67-5 (4S,5S)-4-methyl-5-phenyl-oxazolidin-2-one 
• 492-41-1 (1R,2S)-norephedrine 

Relevant articles and documents

A scalable and expedient method of preparing diastereomerically and enantiomerically enriched pseudonorephedrine from norephedrine

Norephedrine has been efficiently converted into the corresponding diastereomer pseudonorephedrine using a three step, one-pot reaction. The three step process involves treatment of norephedrine with di-tert-butyl dicarbonate (Boc2O); cyclization by way of mesylate formation at the alcohol; and lithium hydroxide mediated hydrolysis of the oxazolidinone. The diastereomeric purity was determined by HPLC and the enantiomeric purity was determined by optical activity measurements and chiral stationary phase HPLC analysis of the pseudonorephedrine oxazolidinone derivatives.

Diastereoselective Synthesis of Nonplanar 3-Amino-1,2,4-oxadiazine Scaffold: Structure Revision of Alchornedine

Herein, we report the diastereoselective synthesis of a 3-amino-1,2,4-oxadiazine (AOXD) scaffold. The presence of a N-O bond in the ring prevents the planar geometry of the aromatic system and induces a strong decrease in the basicity of the guanidine moiety. While DIBAL-H appeared to be the most efficient reducing agent because it exhibited high diastereoselectivity, we observed various behaviors of the Mitsunobu reaction on the resulting β-aminoalcohol, leading to either inversion or retention of the configuration depending on the steric hindrance in the vicinity of the hydroxy group. The physicochemical properties (pKa and log D) and hepatic stability of several AOXD derivatives were experimentally determined and found that the AOXD scaffold possesses promising properties for drug development. Moreover, we synthesized alchornedine, the only natural product with the AOXD scaffold. Based on a comparison of the analytical data, we found that the reported structure of alchornedine was incorrect and hypothesized a new one.

FACTOR XIIa INHIBITORS

The present invention provides a compound of Formula (I) and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing thromboses, embolisms, hypercoagulability or fibrotic changes. The compounds are selective Factor XIIa inhibitors.