2-Methyl-2-propanyl 5-methyl-1,4-diazepane-1-carboxylate

Basic Information

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CAS Number

194032-42-3

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

288 ºC

Flash Point

128 ºC

Refractive Index

1.456

SMILES

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CC1CCN(CCN1)C(=O)OC(C)(C)C

InChI

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

InChIKey

SVMXIQUBNSPVCB-UHFFFAOYSA-N

LogP

1.6053

Topological Polar Surface Area

41.57000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

223

Synonyms & References

English

194032-42-3
AM84979
SY270250
EN300-154329
DTXSID70622617
SB11531
5-METHYL-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
AKOS005137963
MFCD11616042
1-Boc-5-Methyl-1,4-diazepane
SVMXIQUBNSPVCB-UHFFFAOYSA-N
A26003
tetrt-butyl 5-methyl-1,4-diazepane-1-carboxylate
PB31585
FT-0733121
tetrt-butyl5-methyl-1,4-diazepane-1-carboxylate
SB11530
1H-1,4-Diazepine-1-carboxylicacid,hexahydro-5-methyl-,1,1-dimethylethylester
SY033658
J-524900
MFCD16037708
tert-butyl 5-methyl-1,4-diazepane-1-carboxylate
CS-0048180
SCHEMBL6971721
(S)-1-Boc-5-methyl-1,4-diazepane
FT-0696373
MFCD18250107
J-524556
AS-30192
SY235410
tert-butyl5-methyl-1,4-diazepane-1-carboxylate

MDL Number

MFCD11616042

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 5-methyl-1,4-diazepane-1-carboxylate (CAS: 194032-42-3)?

2-Methyl-2-propanyl 5-methyl-1,4-diazepane-1-carboxylate has a crystalline form with a molecular weight of approximately 266.35 g/mol. It is slightly soluble in water but more soluble in organic solvents like dichloromethane and ethanol. This compound exhibits good stability under normal conditions but is reactive towards acidic or basic conditions. It is commonly used in chemical synthesis and pharmaceutical applications.

How is 2-Methyl-2-propanyl 5-methyl-1,4-diazepane-1-carboxylate (CAS: 194032-42-3) typically synthesized?

2-Methyl-2-propanyl 5-methyl-1,4-diazepane-1-carboxylate is typically synthesized through a multi-step process involving diazepine formation and subsequent esterification. Commonly, this involves reacting a 5-methyl-1,4-diazepine with 2-methyl-2-propanol in the presence of a mild acid catalyst like hydrochloric acid. The reaction yields a pure product with high selectivity and good yield.

What industries use 2-Methyl-2-propanyl 5-methyl-1,4-diazepane-1-carboxylate (CAS: 194032-42-3)?

2-Methyl-2-propanyl 5-methyl-1,4-diazepane-1-carboxylate is used in various industries, particularly in pharmaceuticals for the development of new drug candidates, and in polymer chemistry for synthesizing functional polymers. It also finds applications in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Methyl-2-propanyl 5-methyl-1,4-diazepane-1-carboxylate (CAS: 194032-42-3)?

When handling 2-Methyl-2-propanyl 5-methyl-1,4-diazepane-1-carboxylate, it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood during preparation and handling to prevent inhalation of vapors. Store the compound in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, follow the emergency procedures outlined in the Safety Data Sheet (SDS) and dispose of the waste according to local regulations.