tert-Butyl ((2S,4S)-4-(4-methoxy-3-(3-methoxypropoxy)benzyl)-5-methyl-1-oxohexan-2-yl)carbamate | CAS No. 172900-83-3

tert-Butyl ((2S,4S)-4-(4-methoxy-3-(3-methoxypropoxy)benzyl)-5-methyl-1-oxohexan-2-yl)carbamate

Basic Information

CAS Number

172900-83-3

Molecular Formula

C24H39NO6

Molecular Weight

437.6 g/mol

AD

Basic Physical Properties

CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H39NO6/c1-17(2)19(15-20(16-26)25-23(27)31-24(3,4)5)13-18-9-10-21(29-7)22(14-18)30-12-8-11-28-6/h9-10,14,16-17,19-20H,8,11-13,15H2,1-7H3,(H,25,27)/t19-,20-/m0/s1

InChIKey

KFDRZNSEFRKMIT-PMACEKPBSA-N

LogP

4.407500000000003

Topological Polar Surface Area

83.09000000000002 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

519

Synonyms & References

English

  • tert-butyl (1S,3S)-3-(3-(3-methoxypropoxy)-4-methoxybenzyl)-1-formyl-4-methylpentyl-carbamate
  • AC-8495
  • 2(S)-(tert-butoxycarbonyl)amino-4(S)-[4-methoxy-3-(3-methoxypropoxy)-benzyl]-5-methyl-hexanal
  • A881827
  • KFDRZNSEFRKMIT-PMACEKPBSA-N
  • tert-Butyl [(2S,4S)-4-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-5-methyl-1-oxohexan-2-yl]carbamate
  • tert-Butyl ((2S,4S)-4-(4-methoxy-3-(3-methoxypropoxy)benzyl)-5-methyl-1-oxohexan-2-yl)carbamate
  • tert-Butyl ((2S,4S)-4-(4-methoxy-3-(3-methoxypropoxy)-benzyl)-5-methyl-1-oxohexan-2-yl)carbamate
  • 2(S)-(-tert-butoxycarbonyl)amino-4(S)-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-5-methyl-hexanal
  • tert-butyl N-[(2S,4S)-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methyl-1-oxohexan-2-yl]carbamate
  • 172900-83-3
  • SCHEMBL841809
  • DTXSID20469074
  • tert-butyl {1(S)-formyl-3(S)-[4-methoxy-3-(3-methoxypropoxy)benzyl]4-methylpentyl}carbamate
  • AKOS015995241
  • tert-Butyl[(1S,3S)-3-[3-(3-methoxypropoxy)-4-methoxybenzyl]-1-formyl-4-methylpentyl]carbamate
  • Aliskiren inter-8
  • Carbamic acid, N-[(1S,3S)-1-formyl-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methylpentyl]-, 1,1-dimethylethyl ester
  • tert-Butyl ((2S,4S)-4-(4-methoxy-3-(3-methoxypropoxy)-benzyl)-5-methyl-1-oxohexan-2-yl)carbama
  • tert-Butyl [(1S,3S)-3-[3-(3-methoxypropoxy)-4-methoxybenzyl]-1-formyl-4-methylpentyl]carbamate
  • tert-butyl ((2S,4S)-4-(4-methoxy-3-(3-methoxypropoxy)benzyl)-5-methyl-1-oxohexan-2-yl)carbamate(WXG03361)
  • (1S,3S)-{1-formyl-3-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester
  • Carbamic acid, [3-[[4-(1,1-dimethylethyl)phenyl]methyl]-1-formyl-4-methylpentyl]-, 1,1-dimethylethyl ester, [S-(R*,R*)]-
  • CarbaMic acid,[3-[[4-(1,1-diMethylethyl)phenyl]Methyl]-1-forMyl-4-Methylpentyl]-,1,1-diMethylethyl ester, [S-(R*,R*)]-CarbaMic acid

MDL Number

MFCD11977645

FAQ

What are the physical and chemical properties of tert-Butyl ((2S,4S)-4-(4-methoxy-3-(3-methoxypropoxy)benzyl)-5-methyl-1-oxohexan-2-yl)carbamate (CAS: 172900-83-3)?

The compound has a crystalline form and a molecular weight of approximately 522.65 g/mol. It is poorly soluble in water but soluble in organic solvents. It exhibits moderate reactivity, particularly towards nucleophiles and bases. The compound is stable under normal laboratory conditions, but it should be handled under inert atmosphere to prevent hydrolysis.

How is tert-Butyl ((2S,4S)-4-(4-methoxy-3-(3-methoxypropoxy)benzyl)-5-methyl-1-oxohexan-2-yl)carbamate (CAS: 172900-83-3) typically synthesized?

The compound is typically synthesized through multistep reactions involving coupling of tert-butyl (2S,4S)-4-(4-methoxy-3-(3-methoxypropoxy)benzyl)-5-methyl-1-oxohexan-2-yl chloride with a primary amine. The synthesis involves careful control of reaction conditions and the use of anhydrous solvents. The overall yield is moderate, and the reaction is selective under optimized conditions.

What industries use tert-Butyl ((2S,4S)-4-(4-methoxy-3-(3-methoxypropoxy)benzyl)-5-methyl-1-oxohexan-2-yl)carbamate (CAS: 172900-83-3)?

This compound is utilized in pharmaceuticals for its potential as a precursor in medicinal chemistry. It may also find applications in the synthesis of polymers, where its reactivity and functional groups make it suitable for various polymerization processes. Additionally, it could be used in the development of advanced sensing technologies and semiconductors, though its specific use cases in these fields are less documented.

What precautions should be taken when handling tert-Butyl ((2S,4S)-4-(4-methoxy-3-(3-methoxypropoxy)benzyl)-5-methyl-1-oxohexan-2-yl)carbamate (CAS: 172900-83-3)?

When handling this compound, safety goggles, gloves, and lab coat are essential. It should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be flushed with water. The Material Safety Data Sheet (MSDS) and safety protocols should always be consulted before handling the compound. It is crucial to follow all local safety regulations and guidelines when working with this chemical.

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