2-Methyl-2-propanyl (2-oxo-4-azepanyl)carbamate

Basic Information

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CAS Number

179686-45-4

Molecular Formula

C11H20N2O3

Molecular Weight

228.29 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

417.7°C at 760 mmHg

Flash Point

206.4°C

Refractive Index

1.488

SMILES

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

InChI

InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-8-5-4-6-12-9(14)7-8/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15)

InChIKey

OSAXWHKEQRUBFV-UHFFFAOYSA-N

LogP

1.1798

Topological Polar Surface Area

67.43 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

271

Safety Information

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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

(+/-)-n-a-boc-amino-epsilon-caprolactam
(+/-)-N-alpha-Boc-amino-epsilon-caprolactam
J-502537
tert-butyl (2-oxoazepan-3-yl)carbamate;3-N-Boc-Amino-epsilon-caprolactam
AM803389
DTXSID90373518
FT-0687402
AKOS012110318
tert-butyl (2-oxoazepan-3-yl)carbamate
MFCD02183574
SCHEMBL2329779
SY258097
AS-38490
n-alpha-boc-amino-epsilon-caprolactam
n-2-boc-aminocaprolactam
AB89519
A3984
Z1021287250
(S)-3-(Boc-amino)azepan-2-one
FT-0772563
EN300-65621
J-524458
AC-30506
tert-Butyl 2-oxoazepan-3-ylcarbamate
AB88829
MFCD00798169
179686-45-4
3-N-Boc-amino-2-azepanone
CS-0112893
SY045454
tert-butyl N-(2-oxoazepan-3-yl)carbamate

MDL Number

MFCD02183574

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (2-oxo-4-azepanyl)carbamate (CAS: 179686-45-4)?

2-Methyl-2-propanyl (2-oxo-4-azepanyl)carbamate is a crystalline compound with a molecular weight of approximately 216.32 g/mol. It is slightly soluble in water and miscible with organic solvents. This compound is reactive towards nucleophiles and can undergo hydrolysis under basic conditions. It has a melting point of around 85-87°C.

How is 2-Methyl-2-propanyl (2-oxo-4-azepanyl)carbamate (CAS: 179686-45-4) typically synthesized?

2-Methyl-2-propanyl (2-oxo-4-azepanyl)carbamate can be synthesized through a multi-step process involving the reaction of 2-methyl-2-propanol with azepanone, followed by carbamylation. The reaction typically employs acylating reagents under mild conditions, yielding a high selectivity and good overall yield. Specific solvents and catalysts may be used to optimize the reaction conditions.

What industries use 2-Methyl-2-propanyl (2-oxo-4-azepanyl)carbamate (CAS: 179686-45-4)?

2-Methyl-2-propanyl (2-oxo-4-azepanyl)carbamate is primarily used in the pharmaceutical and polymer industries. It serves as a precursor for the synthesis of bioactive compounds and as a monomer in the production of advanced polymers with specific properties. It may also find applications in the development of sensors and semiconductors.

What precautions should be taken when handling 2-Methyl-2-propanyl (2-oxo-4-azepanyl)carbamate (CAS: 179686-45-4)?

When handling 2-Methyl-2-propanyl (2-oxo-4-azepanyl)carbamate, appropriate personal protective equipment (PPE) should be worn, including gloves and safety glasses. The compound should be stored in a cool, dry place away from heat and open flames. In case of a spill, it should be handled in a fume hood, and proper spill cleanup procedures should be followed. A safety data sheet (SDS) should be consulted for detailed safety information and emergency response guidelines.