(R)-tert-Butyl azepan-3-ylcarbamate

Basic Information

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CAS Number

1354351-56-6

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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

322.7±31.0℃/760mmHg

SMILES

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CC(C)(C)OC(=O)NC1CCCCNC1

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-7-12-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1

InChIKey

NZEPWAXJSWYEDV-SECBINFHSA-N

LogP

1.6532

Topological Polar Surface Area

50.36 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

211

Synonyms & References

English

(R)-tert-Butyl azepan-3-ylcarbamate
tert-butyl N-[(3R)-azepan-3-yl]carbamate
(R)-3-Boc-amino-azepane
tert-butyl (R)-azepan-3-ylcarbamate
AK102827
(R)-tert-Butylazepan-3-ylcarbamate
tert-Butyl (3R)-azepan-3-ylcarbamate
NZEPWAXJSWYEDV-SECBINFHSA-N
6327AA
(R)-tert-Butyl-azepan-3-ylcarbamate
FCH3524517
SB18645
AX8234366
J1284
ST24035663
N-[(3R)-Hexahydro-1H-azepin-
CarbaMic acid, N-[(3R)-hexahydro-1H-azepin-3-yl]-, 1,1-diMethylethyl ester
CS-0078603
P12643
TERT-BUTYL N-[(3R)-AZEPAN-3-YL]CARBAMATE
AKOS005264764
AC-29488
MFCD19686115
1354351-56-6
SCHEMBL14209056
DS-3956
DTXSID30716763

MDL Number

MFCD19686115

Customs Code

2933990090

FAQ

What are the physical and chemical properties of (R)-tert-Butyl azepan-3-ylcarbamate (CAS: 1354351-56-6)?

(R)-tert-Butyl azepan-3-ylcarbamate is a colorless to pale yellow liquid with a molecular weight of approximately 244.32 g/mol. It has a specific gravity of 0.972 and is moderately soluble in water but highly soluble in common organic solvents like ethanol and acetone. This compound exhibits moderate reactivity towards nucleophiles and can undergo substitution reactions. It crystallizes in the monoclinic system.

How is (R)-tert-Butyl azepan-3-ylcarbamate (CAS: 1354351-56-6) typically synthesized?

(R)-tert-Butyl azepan-3-ylcarbamate is typically synthesized through a multistep process involving protection of the azepane ring, followed by coupling with tert-butyl isocyanide. The reaction is carried out in the presence of a suitable base such as triethylamine and catalyzed by a phase transfer catalyst. The yield is generally around 70-80%, and the selectivity is high.

What industries use (R)-tert-Butyl azepan-3-ylcarbamate (CAS: 1354351-56-6)?

(R)-tert-Butyl azepan-3-ylcarbamate is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various biologically active compounds. Additionally, it is explored for its potential applications in sensor technology and as a precursor in the development of new materials.

What precautions should be taken when handling (R)-tert-Butyl azepan-3-ylcarbamate (CAS: 1354351-56-6)?

When handling (R)-tert-Butyl azepan-3-ylcarbamate, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to prevent inhalation or skin contact. Spills should be handled with caution, and the area should be cleaned with appropriate solvents. Refer to the safety data sheet (SDS) for detailed instructions and emergency procedures.