Benzyl 1,4-diazepane-1-carboxylate

Basic Information

View in Editor

CAS Number

117009-97-9

Molecular Formula

C13H18N2O2

Molecular Weight

234.3 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

130 °C/0.5 mmHg

Refractive Index

n20/D 1.545(lit.)

SMILES

View in Editor

C1CNCCN(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O2/c16-13(15-9-4-7-14-8-10-15)17-11-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2

InChIKey

BXDQJVDEALOIQW-UHFFFAOYSA-N

LogP

1.6185

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

240

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1-benzyloxycarbonylhomopiperazine
AKOS015889532
Benzyl 1,4-diazepane-1-carboxylate
Cbz-homopiperazine
D70181
1-homopiperazinecarboxylate
1-CBZ-HOMOPIPERIDINE
DTXSID60402703
MFCD01863703
N-Cbz-homopiperazine
[1,4]diazepane-1-carboxylic acid benzyl ester
117009-97-9
Benzyl 1-homopiperazinecarboxylate
BXDQJVDEALOIQW-UHFFFAOYSA-N
SCHEMBL64989
A803697
CS-W012907
AM20020257
EN300-2944602
J-504487
N-Benzyloxycarbonylhomopiperazine
1-Cbz-homopiperazine
Benzyl 1-homopiperazinecarboxylate, 96%
BS-14677
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-, phenylmethyl ester
1-(Benzyloxycarbonyl)homopiperazine
1H-1,4-Diazepine-1-carboxylicacid, hexahydro-, phenylmethyl ester
1-Homopiperazinecarboxylate
1,4-Diazepane, N1-CBZ protected
2-benzyl-1,4-diazepane-1-carboxylate
1-homopiperazinecarboxylicacidbenzylester

MDL Number

MFCD01863703

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Benzyl 1,4-diazepane-1-carboxylate (CAS: 117009-97-9)?

Benzyl 1,4-diazepane-1-carboxylate has a crystalline form at room temperature. Its molecular weight is approximately 269.28 g/mol. This compound has moderate solubility in organic solvents like methanol, ethanol, and DMSO. It exhibits good reactivity in organic reactions due to the presence of an ester and amide functional groups.

How is Benzyl 1,4-diazepane-1-carboxylate (CAS: 117009-97-9) typically synthesized?

Benzyl 1,4-diazepane-1-carboxylate is typically synthesized through a multi-step process involving the diazepane formation followed by esterification with benzyl chloride. Commonly, the diazepane ring is formed via an amide coupling reaction, and the resulting amide is then reacted with benzyl chloride in the presence of a base to generate the final product.

What industries use Benzyl 1,4-diazepane-1-carboxylate (CAS: 117009-97-9)?

Benzyl 1,4-diazepane-1-carboxylate is used in the pharmaceutical and polymer industries for the synthesis of active pharmaceutical ingredients and as a monomer in polymer synthesis. Additionally, it has applications in the development of sensors and semiconductors due to its functional groups.

What precautions should be taken when handling Benzyl 1,4-diazepane-1-carboxylate (CAS: 117009-97-9)?

When handling Benzyl 1,4-diazepane-1-carboxylate, appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat should be worn. The compound should be used in a well-ventilated area or under a fume hood. Spills should be handled carefully, and the Material Safety Data Sheet (MSDS/SDS) should be consulted for specific spill procedures. Ensure proper storage in a cool, dry place away from incompatible materials.