2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate

Basic Information

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CAS Number

878630-96-7

Molecular Formula

C19H28N2O4

Molecular Weight

348.44 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

484.9±44.0 °C(Predicted)

Density

1.14±0.1 g/cm3(Predicted)

SMILES

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O=C(NC1CCN(C(OC(C)(C)C)=O)CCC1)OCC2=CC=CC=C2

InChI

InChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)21-12-7-10-16(11-13-21)20-17(22)24-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,20,22)

InChIKey

OZDJHIOXQZWYAS-UHFFFAOYSA-N

LogP

3.7024000000000026

pKa

12.26±0.20(Predicted)

Topological Polar Surface Area

67.87 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Synonyms & References

English

1-Boc-4-Cbz-Aminoazepane
tert-butyl 4-(benzyloxycarbonylamino)azepane-1-carboxylate
1,1-dimethylethyl 4-({[(phenylmethyl)oxy]carbonyl}amino)hexahydro-1H-azepine-1-carboxylate
3-(t-butoxycarbonylamino)pyridazine
tert-butyl N-(3-pyridazinyl)carbamate
tert-butyl pyridazin-3-ylcarbamate
1H-Azepine-1-carboxylic acid, hexahydro-4-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester
1-Boc-4-Cbz-aminoazepane
1-BOC-4-(CBZ-AMINO)AZEPANE
(R)-tert-butyl 4-(benzyloxycarbonylamino)azepane-1-carboxylate
1,1-dimethylethyl 3-pyridazinylcarbamate

MDL Number

MFCD18207774

Customs Code

2933990090

FAQ

What is 2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate (CAS: 878630-96-7)?

2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate (CAS: 878630-96-7) is a complex organic compound used primarily in pharmaceutical research. It consists of a 2-methyl-2-propanol backbone with a benzyloxycarbonyl-amino-1-azepanecarboxylate substituent. This compound exhibits properties such as solubility in organic solvents and stability under normal conditions.

What are the main uses of 2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate (CAS: 878630-96-7)?

2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate (CAS: 878630-96-7) is mainly used in the development of pharmaceuticals, particularly in the synthesis of peptides and research into drug candidates. It serves as a critical intermediate in the production of certain bioactive molecules.

Is 2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate (CAS: 878630-96-7) safe?

2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate (CAS: 878630-96-7) is generally safe when handled under proper laboratory conditions. However, it should be used with caution due to its reactivity and potential for skin and eye irritation. Protective measures such as gloves and goggles are recommended.

How should 2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate (CAS: 878630-96-7) be stored?

2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate (CAS: 878630-96-7) should be stored in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent degradation. Ensure proper labeling and follow all safety guidelines for storage and handling.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

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Compound Q&A

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Compound Q&A

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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)?

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Compound Q&A

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2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate | CAS No. 878630-96-7

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Boiling Point

Density

Chemical Properties

SMILES

InChI

InChIKey

LogP

pKa

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Synonyms & References

English

MDL Number

Customs Code

FAQ

What is 2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate (CAS: 878630-96-7)?

What are the main uses of 2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate (CAS: 878630-96-7)?

Is 2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate (CAS: 878630-96-7) safe?

How should 2-Methyl-2-propanyl 4-{[(benzyloxy)carbonyl]amino}-1-azepanecarboxylate (CAS: 878630-96-7) be stored?

Related Compounds

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