3-{[(Benzyloxy)carbonyl]amino}-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine - N-cyclohexylcyclohexanamine (1:1) | CAS No. 81306-94-7

3-{[(Benzyloxy)carbonyl]amino}-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine - N-cyclohexylcyclohexanamine (1:1)

Basic Information

CAS Number

81306-94-7

Molecular Formula

C28H45N3O6

Molecular Weight

519.68 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)NC(CNC(=O)OCC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C16H22N2O6.C12H23N/c1-16(2,3)24-15(22)18-12(13(19)20)9-17-14(21)23-10-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20);11-13H,1-10H2/t12-;/m1./s1

InChIKey

RPWGTQRQPVPFKR-UTONKHPSSA-N

LogP

5.132100000000004

Topological Polar Surface Area

125.99000000000001 Ų

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

556

Synonyms & References

English

  • FT-0718878
  • Boc-D-Dap(Z)-OH . DCHA
  • N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid
  • 3-benzyloxycarbonylamino-2-tert-butoxycarbonylaminopropionic acid dicyclohexylamine salt
  • 3-{[(Benzyloxy)carbonyl]amino}-N-(tert-butoxycarbonyl)alanine--N-cyclohexylcyclohexanamine (1/1)
  • AKOS016003876
  • Boc-D-Dap(Z)-OH inverted exclamation mark currencyDCHA
  • Dicyclohexylamine 3-(((benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)propanoate
  • FT-0698768
  • 81306-94-7
  • N-alpha-Boc-N-beta-Z-D-2,3-diaminopropionic acid dicyclohexylamine salt
  • C28H45N3O6
  • SCHEMBL7740099
  • DTXSID80741727
  • D95782
  • S-81306-94-7
  • RPWGTQRQPVPFKR-UHFFFAOYSA-N
  • 3-benzyloxycarbonylamino-2-tert butoxycarbonylaminopropionic acid dicyclohexylamine salt
  • Boc-D-Dap(Z)-OH · DCHA
  • Boc-D-Dap(Z)-OH*DCHA
  • Boc-D-Dap(Z)-OH.DCHA
  • Boc-D-Dap(Z)-OH�DCHA(Na-Boc-N3-Z-D-2,3-Diaminopropionic acid dicyclohexylamine salt )
  • N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-D-alanine dicyclohexylamine salt

MDL Number

MFCD00798629

FAQ

What is 3-{[(Benzyloxy)carbonyl]amino}-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine - N-cyclohexylcyclohexanamine (CAS: 81306-94-7)?

CAS 81306-94-7 is a complex organic compound with the name 3-{[(Benzyloxy)carbonyl]amino}-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine - N-cyclohexylcyclohexanamine. It is an ester derivative with a cyclic amine structure and is used primarily in pharmaceuticals for its chiral properties and potential as a prodrug.

What are the main uses of 3-{[(Benzyloxy)carbonyl]amino}-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine - N-cyclohexylcyclohexanamine (CAS: 81306-94-7)?

This compound is mainly used in the pharmaceutical industry as a chiral intermediate and prodrug candidate. It plays a role in the synthesis of other compounds and is valuable for its structural complexity and potential therapeutic applications.

Is 3-{[(Benzyloxy)carbonyl]amino}-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine - N-cyclohexylcyclohexanamine (CAS: 81306-94-7) safe?

The safety of CAS 81306-94-7 depends on the context of its use. When handled under proper laboratory conditions and with appropriate personal protective equipment (PPE), it is generally safe. However, direct contact with the skin or inhalation of vapors should be avoided, and it should be used in a well-ventilated area or fume hood.

How should 3-{[(Benzyloxy)carbonyl]amino}-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alanine - N-cyclohexylcyclohexanamine (CAS: 81306-94-7) be stored?

CAS 81306-94-7 should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in airtight, light-resistant containers to prevent degradation. Optimal storage conditions include a temperature range of 2-8°C (refrigerated) and a relative humidity of less than 45% to maintain its structural integrity and stability.

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