55863-02-0

Basic information

• Product Name: N-Methyl-1-amino-hex-5-ene
• Synonyms: N-Methyl-1-amino-hex-5-ene;5-HEXEN-1-AMINE, N-METHYL-;N-methylhex-5-en-1-amine;5-Hexen-1-aMine, N-Methyl-N-Methylhex-5-en-1-aMine;N-methyl-5-hexen-1-amine
• CAS NO: 55863-02-0
• Molecular Formula: C₇H₁₅N
• Molecular Weight: 113.202
• Mol File: 55863-02-0.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 146.5±19.0 °C(Predicted)
• Appearance: /
• Density: 0.764±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 10.74±0.10(Predicted)
• Stability: Volatile
• CAS DataBase Reference: N-Methyl-1-amino-hex-5-ene(CAS DataBase Reference)
• NIST Chemistry Reference: N-Methyl-1-amino-hex-5-ene(55863-02-0)
• EPA Substance Registry System: N-Methyl-1-amino-hex-5-ene(55863-02-0)

Safety Data

• Hazardous Substances Data: 55863-02-0(Hazardous Substances Data)

Usage

Uses

N-Methylhex-5-en-1-amine can be used as a reagent to prepare quinazoline substituted cyclopentane and proline-urea based macrocycles as Hepatitis C virus (HCV) NS3/4A protease inhibitors.

Upstream product

• 50347-17-6 N-Methyl-6-hydroxyhexylamine 
• 2695-47-8 6-Bromo-1-hexene 
• 74-89-5 methylamine 
• 821-41-0 5-Hexen-1-ol 
• 922520-05-6 2,2,2-trifluoro-N-(hex-5-enyl)-N-methylacetamide 
• 34825-70-2 hex-5-en-1-amine 
• 593-51-1 methylamine hydrochloride 

Downstream Products

• 922726-52-1 4-nitro-benzoic acid (3S,5S)-5-((1R,2S)-1-ethoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-1-(hex-5-enyl-methyl-carbamoyl)-pyrrolidin-3-yl ester 
• 923586-40-7 C₂₈H₃₆N₄O₈ 
• 922727-92-2 (1R,2R,4R)-2-(hex-5-en-1-yl(methyl)carbamoyl)-4-hydroxycyclopentane carboxylic acid 
• 922727-93-3 (1R,2S)-1-{[(1R,2R,4S)-2-(hex-5-enyl-methyl-carbamoyl)-4-hydroxy-cyclopentanecarbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester 
• 1042695-88-4 C₃₁H₃₉N₃O₅S 
• 1042695-87-3 methyl (1R,2R,4S)-2-[5-hexen-1-yl(methyl)carbamoyl]-4-[[2-(4-isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methyl-4-quinolinyl]oxy]cyclopentanecarboxylate 
• 923604-56-2 ethyl (1R,2S)-2-ethenyl-1-({[(1R,2R,4R)-2-[hex-5-en-1-yl-(methyl)carbamoyl]-4-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)cyclopentyl]carbonyl}-amino)cyclopropanecarboxylate 
• 923275-12-1 (1R,2S)-1-({(1R,2R,4R)-2-(hex-5-enyl-methyl-carbamoyl)-4-[7-methoxy-2-(4-methoxy-phenyl)-8-methyl-quinazolin-4-yloxy]-cyclopentanecarbonyl}-amino)-2-vinyl-cyclopropanecarboxylic acid ethyl ester 
• 923275-32-5 (1R,2S)-1-{[(1R,2R,4R)-4-[2-(3-fluoro-phenyl)-7-methoxy-8-methyl-quinazolin-4-yloxy]-2-(hex-5-enyl-methyl-carbamoyl)-cyclopentanecarbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester 
• 1239316-42-7 C₃₈H₄₅FN₄O₆ 
• 923274-74-2 (1R,2S)-1-((1R,2R,4R)-2-(hex-5-enyl(methyl)carbamoyl)-4-(7-methoxy-8-methyl-2-phenylquinazolin-4-yloxy)cyclopentanecarboxamido)-2-vinylcyclopropanecarboxylic acid ethyl ester 
• 1239316-41-6 C₃₇H₄₃FN₄O₆ 
• 923274-31-1 (1R,2S)-ethyl 1-((1R,2R,4R)-2-(hex-5-enyl(methyl)carbamoyl)-4-(7-methoxy-2-phenylquinazolin-4-yloxy)cyclopentanecarboxamido)-2-vinylcyclopropanecarboxylate 
• 1101169-30-5 C₃₇H₄₄N₄O₆ 

Relevant articles and documents

Toward the Synthesis of Fluorinated Analogues of HCV NS3/4A Serine Protease Inhibitors Using Methyl α-Amino-β-fluoro-β-vinylcyclopropanecarboxylate as Key Intermediate

Synthesis of fluorocyclopropyl building blocks, which constitute the core of various therapeutic agents against the hepatitis C virus, is described. The relevant methyl α-amino-β-fluoro-β-vinylcyclopropanecarboxylate has been used as a key intermediate for the total synthesis of a fluorinated analogue of Simeprevir (TMC 435), a HCV NS3/4A protease inhibitor.

HCV INHIBITING MACROCYCLIC PHOSPHONATES AND AMIDOPHOSPHATES

Inhibitors of HCV replication of Formula (I) the /V-oxides, salts, and stcreochcmically isomeric forms thereof; pharmaceutical compositions containing compounds (1) and processes for preparin compounds (I). The side chain R2 is an amidophosphate or a phosphonate group and X, R1, R3, E and n are as defined in the application.

MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS

Inhibitors of HCV replication of Formula (I) and the salts and stereoisomers thereof, wherein each dashed line (represented by - - - - -) represents an optional double bond; X is N, CH and where X bears a double bond it is C; R1 is -OR7, -NH-SO2R8; R2 is hydrogen, and where X is C or CH, R2 may also be C1-6alkyl; R3 is hydrogen, C1-6alkyl, C1-6alkoxyC1 -6alkyl, C3 -7cycloalkyl; n is 3, 4, 5, or 6; R4 is C1-6alkyl or C3-7cycloalkyl; R5 is hydrogen, halo, C1-6alkyl, hydroxy, C1 -6alkoxy, polyhaloC1 -6alkyl; R6 is hydrogen, C1-6alkoxy, mono- or diC1 -6alkylamino; or R5 and R6 may form a 5- or 6-membered unsaturated or partially unsaturated ring, optionally co mprising one or two selected from O, N and S; R7 is hydrogen; C3-7cycloalkyl optionally subst ituted with C1-6alkyl; or C1-6alkyl optionally subst ituted with C3 -7cycloalkyl; R8 is C3-7cycloalkyl optionally subst ituted with C1 -6alkyl; C1 -6alkyl optionally substituted with C3-7cycloalkyl; or -NR8aR8b; R8a and R8b are C1-6alkyl, or both may form a 5- or 6-membered saturated heterocyclic ring; pharmaceut ical compositions containing compounds (I) and processes for preparing compounds (I).