(2S)-1-Methoxy-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-oxo-2-hexanaminium chloride | CAS No. 2389-48-2

(2S)-1-Methoxy-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-oxo-2-hexanaminium chloride

Basic Information

CAS Number

2389-48-2

Molecular Formula

C12H25ClN2O4

Molecular Weight

296.8 g/mol

AD

Basic Physical Properties

Physical State

Solid

Solubility

Soluble in methanol.

CC(C)(C)OC(=O)NCCCCC(C(=O)OC)N.Cl

InChI

InChI=1S/C12H24N2O4.ClH/c1-12(2,3)18-11(16)14-8-6-5-7-9(13)10(15)17-4;/h9H,5-8,13H2,1-4H3,(H,14,16);1H/t9-;/m0./s1

InChIKey

NANRHOPPXCBHGI-FVGYRXGTSA-N

LogP

1.6034999999999993

Topological Polar Surface Area

90.64999999999999 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

274

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Nepsilon-Boc-lysine methyl ester hydrochloride
  • Lys(Boc)-OMe.HCl
  • methyl (2s)-2-amino-6-[(tert-butoxycarbonyl)amino]hexanoatehydrochloride
  • methyl N6-(tert-butoxycarbonyl)-L-lysinate hydrochloride
  • A-Boc-L-lysine methyl ester hydrochloride
  • M03089
  • MFCD00076959
  • AKOS015919529
  • (S)-methyl 2-amino-6-(tert-butoxycarbonylamino)hexanoate hydrochloride
  • Nepsilon-Boc-L-lysine methyl ester hydrochloride
  • H-LYS(BOC)-OME HCL
  • H-Lys(Boc)OMe hydrochloride
  • NANRHOPPXCBHGI-FVGYRXGTSA-N
  • DS-15095
  • Q-101592
  • H-Lys(Boc)-OMe.HCl
  • 2389-48-2
  • CS-0005482
  • N-epsilon-t-Butyloxycarbonyl-L-lysine methyl ester hydrochloride
  • J-300189
  • EN300-7376913
  • Methyl N~6~-(tert-butoxycarbonyl)-L-lysinate--hydrogen chloride (1/1)
  • Nepsilon -t-butyloxycarbonyl-L-lysine methyl ester hydrochloride
  • DTXSID00585044
  • methyl (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;hydrochloride
  • H-Lys(Boc)-OMe hydrochloride
  • H-Lys(Boc)-OMe hydrochloride, >=98.0% (TLC)
  • AM81969
  • H-L-Lys(Boc)-OMe hydrochloride
  • N-
  • HY-65000

MDL Number

MFCD00076959

FAQ

What are the physical and chemical properties of (2S)-1-Methoxy-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-oxo-2-hexanaminium chloride (CAS: 2389-48-2)?

(2S)-1-Methoxy-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-oxo-2-hexanaminium chloride is a crystalline compound with a molecular weight of approximately 262.37 g/mol. It is sparingly soluble in water but soluble in organic solvents. Chemically, it shows moderate reactivity, particularly towards nucleophiles. It is a primary amine salt, which affects its reactivity and solubility characteristics.

How is (2S)-1-Methoxy-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-oxo-2-hexanaminium chloride (CAS: 2389-48-2) typically synthesized?

(2S)-1-Methoxy-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-oxo-2-hexanaminium chloride is synthesized through the reaction of 1-(2,2-dimethylpropoxy)-6-aminohexan-1-one with methanol in the presence of a strong acid catalyst, such as hydrochloric acid, to form the chloride salt. The reaction is highly selective, and yields up to 90% can be achieved under optimized conditions.

What industries use (2S)-1-Methoxy-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-oxo-2-hexanaminium chloride (CAS: 2389-48-2)?

(2S)-1-Methoxy-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-oxo-2-hexanaminium chloride is primarily used in the pharmaceutical industry for the synthesis of drugs. It also finds application in the polymer industry as a comonomer and in the development of sensors for detecting certain chemical species.

What precautions should be taken when handling (2S)-1-Methoxy-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-oxo-2-hexanaminium chloride (CAS: 2389-48-2)?

When handling (2S)-1-Methoxy-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-oxo-2-hexanaminium chloride, it is recommended to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated environment or a fume hood. Follow standard safety procedures, and have access to a safety data sheet (SDS) for emergency information. Spills should be handled with appropriate absorbent materials and disposed of according to local regulations.

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