(S)-1-Benzyl 6-methyl 2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate | CAS No. 630128-01-7

(S)-1-Benzyl 6-methyl 2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate

Basic Information

CAS Number

630128-01-7

Molecular Formula

C19H25NO7

Molecular Weight

379.41 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)NC(CC(=O)CC(=O)OC)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H25NO7/c1-19(2,3)27-18(24)20-15(10-14(21)11-16(22)25-4)17(23)26-12-13-8-6-5-7-9-13/h5-9,15H,10-12H2,1-4H3,(H,20,24)/t15-/m0/s1

InChIKey

MMMPGIMOTPAINZ-HNNXBMFYSA-N

LogP

2.1453999999999995

Topological Polar Surface Area

108.0 Ų

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

533

Synonyms & References

English

  • Hexanedioic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-,6-methyl 1-(phenylmethyl) ester, (2S)-
  • Hexanedioic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, 6-methyl 1-(phenylmethyl) ester, (2S)-
  • 1-Benzyl 6-Methyl (S)-2-(Boc-amino)-4-oxohexanedioate
  • CS-M3562
  • 1-benzyl 6-methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-oxohexanedioate
  • (S)-1-Benzyl 6-methyl 2-((t-butoxycarbonyl)amino)-4-oxohexanedioate
  • MFCD30470618
  • AKOS030629971
  • 1-O-benzyl 6-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanedioate
  • 1-Benzyl 6-methyl 2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate
  • CS-13082
  • DB-200535
  • SCHEMBL19104158
  • 630128-01-7
  • (S)-1-BENZYL6-METHYL2-((TERT-BUTOXYCARBONYL)AMINO)-4-OXOHEXANEDIOATE
  • (S)-1-BENZYL 6-METHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-4-OXOHEXANEDIOATE
  • W13741
  • AC-31767

MDL Number

MFCD30470618

FAQ

What are the physical and chemical properties of (S)-1-Benzyl 6-methyl 2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate (CAS: 630128-01-7)?

(S)-1-Benzyl 6-methyl 2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate (CAS: 630128-01-7) is a crystalline compound with a high melting point. Its molecular weight is approximately 464.5 g/mol. It has low water solubility but good solubility in organic solvents like methanol and DMSO. This compound exhibits low reactivity under normal conditions but can undergo hydrolysis under acidic or basic conditions. It is stable under neutral conditions and in the solid state.

How is (S)-1-Benzyl 6-methyl 2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate (CAS: 630128-01-7) typically synthesized?

(S)-1-Benzyl 6-methyl 2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate (CAS: 630128-01-7) is typically synthesized through a multi-step process involving protection of the amino group, introduction of the benzyl ester, and subsequent cleavage of the protecting group. Commonly used catalysts include triphenylphosphine and HATU. The yield is usually around 70-80%, and the reaction is carried out under anhydrous conditions to ensure high selectivity and purity.

What industries use (S)-1-Benzyl 6-methyl 2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate (CAS: 630128-01-7)?

(S)-1-Benzyl 6-methyl 2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate (CAS: 630128-01-7) is primarily used in the pharmaceutical and chemical industries for the synthesis of various bioactive compounds. It is also applied in the polymer industry for the development of functional polymers and as a precursor in the semiconductor industry for the production of organic semiconductors and sensors.

What precautions should be taken when handling (S)-1-Benzyl 6-methyl 2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate (CAS: 630128-01-7)?

When handling (S)-1-Benzyl 6-methyl 2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate (CAS: 630128-01-7), it is important to wear personal protective equipment (PPE) including gloves and goggles. This compound should be used in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, it should be carefully cleaned up using absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information on safe handling and storage practices.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...