(S)-tert-Butyl 3-aminoazepane-1-carboxylate

Basic Information

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CAS Number

625471-04-7

Molecular Formula

C11H22N2O2

Molecular Weight

214.31 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 Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

296.5±33.0℃ at 760 mmHg

Density

1.020

SMILES

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CC(C)(C)OC(=O)N1CCCCC(C1)N

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(12)8-13/h9H,4-8,12H2,1-3H3/t9-/m0/s1

InChIKey

WXWILWLHHQGUCX-VIFPVBQESA-N

LogP

1.7347

Topological Polar Surface Area

55.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

223

Synonyms & References

English

(S)-tert-Butyl 3-aminoazepane-1-carboxylate
(3S)-3-Aminoazepane-1-carboxylic Acid tert-Butyl Ester
(3S)-3-AMINO-AZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(S)-3-amino-azepane-1-carboxylic acid tert-butyl ester
tert-Butyl (3S)-3-aminoazepane-1-carboxylate
tert-Butyl 3-aminoazepane-1-carboxylate
(S)-3-AMINO-1-BOC-AZEPANE
(3S)-3-Aminohexahydro-1H-azepine-1-carboxylic acid 1,1-dimethylethyl ester
1-Boc-(3S)-3-aminoazepane
WXWILWLHHQGUCX-VIFPVBQESA-N
BCP09828
WT1133
FCH3649545
AM804150
AX8223527
AB0077620
tert-butyl (S)-3-aminoazepane-1-carboxylat
(3S)-Amino-azepane-1-carboxylic acid tert-butyl ester
tert-butyl (3S)-3-aminoazepane-1-carboxylate
tert-butyl (S)-3-aminoazepane-1-carboxylate
(S)-tert-Butyl3-aminoazepane-1-carboxylate
A868441
CS-D0273
AC-29389
MFCD11041390
EN300-268796
DTXSID30653023
tert-Butyl (3S)-3-Aminoazepane-1-carboxylate
DS-14858
SCHEMBL1563471
AKOS015900998

MDL Number

MFCD11041390

Customs Code

2933990090

FAQ

What regulatory guidelines apply to (S)-tert-Butyl 3-aminoazepane-1-carboxylate (CAS: 625471-04-7)?

The compound (S)-tert-Butyl 3-aminoazepane-1-carboxylate (CAS: 625471-04-7) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for labeling and safety data sheets. Additionally, it may be regulated under European Union REACH regulations, which require registration and assessment of substances. In the United States, FDA and EPA have specific requirements for the handling and transport of hazardous chemicals, which may apply based on the compound's properties.

Are there alternatives to (S)-tert-Butyl 3-aminoazepane-1-carboxylate in synthesis?

There are several alternatives to (S)-tert-Butyl 3-aminoazepane-1-carboxylate in synthesis, including other aminoazepane derivatives, such as (R)-tert-Butyl 3-aminoazepane-1-carboxylate or other azepane-based compounds. These alternatives can provide similar functional groups for various applications, such as医药中间体, without the specific stereochemistry of (S)-tert-Butyl 3-aminoazepane-1-carboxylate. Common alternative reagents include various amino acids and amine derivatives.

What is the market or research trend for (S)-tert-Butyl 3-aminoazepane-1-carboxylate?

The market for (S)-tert-Butyl 3-aminoazepane-1-carboxylate is growing due to its use in the synthesis of pharmaceuticals and biologics. Research trends indicate an increasing interest in developing new synthetic routes and exploring its applications in medicinal chemistry. The demand is driven by its unique properties, such as its amino group and azepane ring, which are valuable in the development of novel drug candidates. Additionally, there is a trend towards more sustainable and green chemistry approaches in its synthesis.

How should waste containing (S)-tert-Butyl 3-aminoazepane-1-carboxylate be handled?

Waste containing (S)-tert-Butyl 3-aminoazepane-1-carboxylate (CAS: 625471-04-7) should be handled according to local and national regulations. Typically, it should be collected in appropriate containers and stored in a secure area to prevent environmental contamination. Disposal should be done through a professional hazardous waste disposal service to ensure compliance with environmental protection laws. Incineration or other chemical treatment methods may be necessary to properly dispose of the waste, depending on its composition and local regulations.