(E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithine

Basic Information

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CAS Number

186698-61-3

Molecular Formula

C24H38N4O7S

Molecular Weight

526.66 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

Insuluble (7.4E-3 g/L) (25 ºC),

SMILES

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CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCCC(C(=O)O)NC(=O)OC(C)(C)C)N)C

InChI

InChI=1S/C24H38N4O7S/c1-13-14(2)19(15(3)16-12-24(7,8)34-18(13)16)36(32,33)28-21(25)26-11-9-10-17(20(29)30)27-22(31)35-23(4,5)6/h17H,9-12H2,1-8H3,(H,27,31)(H,29,30)(H3,25,26,28)/t17-/m1/s1

InChIKey

CVFXPOKENLGCID-QGZVFWFLSA-N

LogP

2.8861300000000014

Topological Polar Surface Area

166.90999999999997 Å²

Hydrogen Bond Donor/Acceptor

5 / 11

Complexity

939

Synonyms & References

English

N-alpha-(t-Butyloxycarbonyl)-N'-2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl-D-arginine
N2-(tert-Butoxycarbonyl)-Nw-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)-D-arginine
A854683
CS-0054158
D-Ornithine,N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(1,1-dimethylethoxy)carbonyl]-
(E)-N~5~-{Amino[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonyl)amino]methylidene}-N~2~-(tert-butoxycarbonyl)-D-ornithine
Boc-D-Arg(Pbf)-OH
DTXSID10583793
HY-W062304
I10279
(2R)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
186698-61-3
AKOS025289352
DS-9740
DEMECARIUMBROMIDE(250MG)
CVFXPOKENLGCID-QGZVFWFLSA-N
Boc-Nw-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-D-arginine
MFCD00236822
D-Ornithine,N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl...
D-Ornithine,N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(1,1-dimethylethoxy)carbo
NA-BOC-NW-(2,2,4,6,7-PENTAMETHYLDIHYDROBENZOFURAN-5-SULFONYL)-D-ARGININE
AmbotzBAA1021
Nalpha-Fmoc-Nomega-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-D-arginine
BOC-D-Arg(pbf)
BOC-D-ARGININE(PBF)-OH
(Tert-Butoxy)Carbonyl D-Arg(Pbf)-OH
Boc-N-oMega-(2,2,4,6,7-pentaMethyldihydrobenzofuran-5-sufonyl)-D-arginine
BOC-N-OMEGA-(2,2,4,6,7-PENTAMETHYLDIHYDROBENZOFURAN-5-SULFONYL)-D-ARGININE
Nalpha-Boc-Nomega-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzo[b]furan-5-ylsulfonyl)-D-arginine

MDL Number

MFCD00236822

FAQ

What are the physical and chemical properties of (E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithine (CAS: 186698-61-3)?

This compound is a crystalline solid with a molecular weight of approximately 653.8 g/mol. It is poorly soluble in water but has good solubility in organic solvents like methanol and dimethyl sulfoxide. Chemically, it is highly reactive, especially towards nucleophiles and reducing agents. It has been observed to form stable complexes with metal ions and to undergo facile conjugate addition reactions.

How is (E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithine (CAS: 186698-61-3) typically synthesized?

This compound can be synthesized via a multi-step process involving the condensation of D-ornithine with a sulfonyl chloride derivative, followed by amino and methyl ester substitutions. The key steps include protecting group manipulations and selective functional group transformations. The overall yield is moderate, around 50-60%, and the process requires careful control of reaction conditions to achieve high purity.

What industries use (E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithine (CAS: 186698-61-3)?

This compound finds applications in the pharmaceutical industry for drug development, particularly in the synthesis of bioactive molecules and as a building block for complex organic structures. It is also used in the development of sensors and semiconductors due to its unique chemical and electronic properties.

What precautions should be taken when handling (E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-ornithine (CAS: 186698-61-3)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly flushed with water. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.