102507-13-1

Basic information

• Product Name: N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID
• Synonyms: (S)-N-ALPHA-T-BUTYLOXYCARBONYL-3,3-DIMETHYL-SERINE;(S)-2-BOC-AMINO-3-HYDROXY-3-METHYLBUTYRIC ACID;N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID;BOC-S-SER(3,3ME2)-OH;BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID;BOC-L-SER(3,3-DIMETHYL);(S)-2-N-BOC-AMINO-3-HYDROXY-3-METHYLBUTYRIC ACID;(S)-Boc-beta,beta-dimethyl-serine
• CAS NO: 102507-13-1
• Molecular Formula: C₁₀H₁₉NO₅
• Molecular Weight: 233.26
• Product Categories: pharmacetical;unnatural amino acids
• Mol File: 102507-13-1.mol
• Article Data: 20

Chemical Properties

• Melting Point: 116-118℃
• Boiling Point: 391.1 ºC at 760 mmHg
• Flash Point: 190.3 ºC
• Appearance: /
• Density: 1.175 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.483
• Storage Temp.: 2-8°C
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 3.62±0.10(Predicted)
• CAS DataBase Reference: N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID(102507-13-1)
• EPA Substance Registry System: N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID(102507-13-1)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 102507-13-1(Hazardous Substances Data)

Usage

Chemical Properties

White powder

Uses

N-Boc-3-hydroxy-L-valine is used as a reagent in the synthesis of metabolites of PPI-2458, which is a selective, irreversible inhibitor of methionine aminopeptidase-2 (MetAP2). N-Boc-3-hydroxy-L-valine is also used in the preparation of Boceprevir (B674500); an NS3 serine protease inhibitor of hepatitis C virus for the treatment of HCV infection.

InChI:InChI=1/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1

Upstream product

• 2280-27-5 (S)-2-amino-3-hydroxy-3-methylbutanoic acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 34619-03-9 tert-butyldicarbonate 
• 473545-40-3 tert-butyl N-[(1R)-2-hydroxy-1-(hydroxymethyl)-2-methylpropyl]carbamate 
• 2766-43-0 N-tert-butyloxycarbonyl-L-serine methyl ester 
• 182958-73-2 (2R)-2-(N-tert-Butoxycarbonyl)amino-3-hydroxy-3-methylbutanoic acid 
• 95715-86-9 (S)-2,2-dimethyl-oxazolidine-3,4-dicarboxylic acid 3-tert-butyl ester 4-methyl ester 
• 7758-19-2 sodium chlorite 
• 473452-22-1 methyl (S)-2-(tert-butoxycarbonylamino)-3-hydroxy-3-methylbutanoate 
• 1609644-37-2 C₂₀H₂₆N₂O₃ 
• 108149-60-6 methyl [(4R)-3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidin-4-yl]carboxylate 
• 95715-85-8 2-(tert-butoxycarbonylamino)-3-hydroxypropionic acid methyl ester 
• 75-16-1 methylmagnesium bromide 
• 288159-36-4 tert-butyl (4R)-4-(1-hydroxy-1-methylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate 

Downstream Products

• 2280-27-5 (S)-2-amino-3-hydroxy-3-methylbutanoic acid 
• 1217603-41-2 (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxy-3-methylbutanoic acid 
• 182205-72-7 (S)-3-Hydroxy-3-methyl-2-methylamino-butyric acid (1R,2R)-1-[((S)-1-benzyloxycarbonyl-2-methyl-propyl)-methyl-carbamoyl]-2-methyl-butyl ester 
• 182205-78-3 (S)-2-(tert-Butoxycarbonyl-methyl-amino)-3-(tert-butyl-dimethyl-silanyloxy)-3-methyl-butyric acid (1R,2R)-1-[((S)-1-benzyloxycarbonyl-2-methyl-propyl)-methyl-carbamoyl]-2-methyl-butyl ester 
• 182205-77-2 (2R,3R)-2-[(S)-2-(tert-Butoxycarbonyl-methyl-amino)-3-(tert-butyl-dimethyl-silanyloxy)-3-methyl-butyryloxy]-3-methyl-pentanoic acid benzyl ester 
• 182205-76-1 (2R,3R)-2-[(S)-2-tert-Butoxycarbonylamino-3-(tert-butyl-dimethyl-silanyloxy)-3-methyl-butyryloxy]-3-methyl-pentanoic acid benzyl ester 
• 182205-79-4 C₇₂H₁₀₈N₈O₁₄ 
• 127785-64-2 aureobasidin A 
• 500354-63-2 C₆₅H₈₇N₅O₁₂Si₃ 
• 500342-68-7 4-[1-(2-(tert-butyl-diphenyl-silanyloxy)-1-{4-[2-(tert-butyl-diphenyl-silanyloxy)-1-methoxycarbonyl-ethylcarbamoyl]-5-methyl-oxazol-2-yl}-ethylcarbamoyl)-2-hydroxy-2-methyl-propylcarbamoyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid benzyl ester 

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