2-Methyl-2-propanyl 4-hydroxy-1-azepanecarboxylate

Basic Information

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CAS Number

478832-21-2

Molecular Formula

C11H21NO3

Molecular Weight

215.29 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

Physical State

White to Yellow Solid

Boiling Point

310.6°C at 760 mmHg

Density

1.079

Flash Point

141.7°C

Refractive Index

1.489

SMILES

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CC(C)(C)OC(=O)N1CCCC(CC1)O

InChI

InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12/h9,13H,4-8H2,1-3H3

InChIKey

CRFSWDBNKHNGGA-UHFFFAOYSA-N

LogP

1.7683

Topological Polar Surface Area

49.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

222

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-BOC-4-HYDROXY-AZEPANE
CRFSWDBNKHNGGA-UHFFFAOYSA-N
(S)-1-Boc-azepan-4-ol
4-Hydroxyazepane-1-carboxylic acid tert-butyl ester, AldrichCPR
(+/-)-tert-butyl 4-hydroxyazepane-1-carboxylate
AC-4609
C11H21NO3
J-524710
4-Hydroxyazepane-1-carboxylicacidtert-butylester
PB26256
N-Boc-Hexahydro-1H-azepin-4-ol
SB31004
SY272080
(R)-1-Boc-azepan-4-ol
FT-0603790
BB 0261603
MFCD07368610
GS-4316
tert-Butyl 4-hydroxyhexahydro-1H-azepine-1-carboxylate
Z1505700782
SCHEMBL1096914
SY272081
CS-D0037
4-HYDROXYAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
SY031228
DTXSID50629063
1-Boc-4-Hydroxyazepane
MFCD18432592
SB31005
1,1-Dimethylethyl 4-hydroxyhexahydro-1H-azepine-1-carboxylate
EN300-154246

MDL Number

MFCD07368610

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 2-Methyl-2-propanyl 4-hydroxy-1-azepanecarboxylate (CAS: 478832-21-2)?

2-Methyl-2-propanyl 4-hydroxy-1-azepanecarboxylate (CAS: 478832-21-2) is subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which provides guidelines for hazard communication. Additionally, it is regulated under REACH in the European Union, requiring manufacturers and importers to register substances above a certain tonnage threshold. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may also impose requirements for the handling and use of this compound.

Are there alternatives to 2-Methyl-2-propanyl 4-hydroxy-1-azepanecarboxylate (CAS: 478832-21-2) in synthesis?

Synthesizers often look for alternatives to 2-Methyl-2-propanyl 4-hydroxy-1-azepanecarboxylate (CAS: 478832-21-2) that offer similar functionalities but with better reactivity or lower cost. Common alternatives include other azepanecarboxylates with different substituents or analogous structures. These alternatives can provide similar chemical properties while potentially offering better synthetic utility.

What is the market or research trend for 2-Methyl-2-propanyl 4-hydroxy-1-azepanecarboxylate (CAS: 478832-21-2)?

The market for 2-Methyl-2-propanyl 4-hydroxy-1-azepanecarboxylate (CAS: 478832-21-2) is driven by its use in pharmaceuticals and organic synthesis. Research trends are focusing on its application in developing new drugs and as a building block for complex molecules. The trend indicates an increasing demand for this compound due to its unique chemical properties and its role in various chemical reactions.

How should waste containing 2-Methyl-2-propanyl 4-hydroxy-1-azepanecarboxylate (CAS: 478832-21-2) be handled?

Waste containing 2-Methyl-2-propanyl 4-hydroxy-1-azepanecarboxylate (CAS: 478832-21-2) should be collected in appropriate containers and stored separately to prevent contamination. For disposal, it is recommended to consult with a hazardous waste management professional to ensure compliance with local regulations. Proper incineration or chemical treatment may be necessary to neutralize the compound before disposal. Always follow safety protocols to protect the environment and human health.