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

Basic Information

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CAS Number

112275-50-0

Molecular Formula

C10H20N2O2

Molecular Weight

200.28 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

Basic Physical Properties

Boiling Point

95-110 °C/0.5 mmHg

Water Solubility

Not miscible or difficult to mix in water.

Refractive Index

n20/D 1.471(lit.)

SMILES

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CC(C)(C)OC(=O)N1CCCNCC1

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-4-5-11-6-8-12/h11H,4-8H2,1-3H3

InChIKey

WDPWEXWMQDRXAL-UHFFFAOYSA-N

LogP

1.2167999999999999

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

199

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class 8 Class 8

Sensitiveness

Air Sensitive

Synonyms & References

English

HEXAHYDRO-1H-1,4-DIAZEPINE-1-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
1-(t-B utyloxycarbonyl)- 1,4-diazepane
MFCD00276987
1,1-dimethylethyl hexahydro-1H-1,4-diazepine-1-carboxylate
tert-butyl-1-homopiperazinecarboxylate
1-Boc-hexahydro-1,4-diazepine, 98%
homopiperazine-carboxylic acid tert-butyl ester
1-Boc-homopiperazine
1-(t-Butyloxycarbonyl)- 1 4-diazepane
tert-butylhomopiperazine-1-carboxylate
1,1-dimethylethyl 1,4-diazepane-1-carboxylate
homo-piperazine-1-carboxylic acid tert-butyl ester
AM20080075
1-(tert-butoxycarbonyl)-hexahydro-1H-1,4-diazepine
tert-butyl hexahydro-1H-1,4-diazepine-1-carboxylate
[1,4]diazepane-1-carboxylic acid tert-butyl ester
PS-3588
tert-butyl 1,4-diazepane-1-carboxylate
tert-butyl 1-homopiperazine-carboxylate
Q-102280
AC-2384
t-butyl 1,4-diazepane-1-carboxylate
N-tert-butyloxycarbonyl-homopiperazine
1-BOC-homopiperizine
AB05896
FT-0607415
1-(tert-butyloxycarbonyl)homopiperazine
tert-butyl1,4-diazepane-1-carboxylate
VU0494717-1
BCP22542
t-Butyloxycarbonyl-1,4-diazepane

MDL Number

MFCD00276987

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 1,4-diazepane-1-carboxylate (CAS: 112275-50-0)?

2-Methyl-2-propanyl 1,4-diazepane-1-carboxylate has a crystalline form and a molecular weight of approximately 224.27 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and ethyl acetate. The compound is moderately reactive, showing basic properties due to the presence of the 1,4-diazepane ring. It can react with acids to form carboxylic acid derivatives and with bases to form salts.

How is 2-Methyl-2-propanyl 1,4-diazepane-1-carboxylate (CAS: 112275-50-0) typically synthesized?

2-Methyl-2-propanyl 1,4-diazepane-1-carboxylate is typically synthesized through a multistep process involving the reaction of 2-methylpropylamine with 1,4-diazepane-1-carboxylic acid. The process usually requires a mild base as a catalyst, and the final product is obtained through recrystallization. The yield is around 70-80%, and the reaction is selective and efficient.

What industries use 2-Methyl-2-propanyl 1,4-diazepane-1-carboxylate (CAS: 112275-50-0)?

2-Methyl-2-propanyl 1,4-diazepane-1-carboxylate is primarily used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It also finds applications in the polymer industry as a monomer for the production of specific polymers. Additionally, it is used in the development of sensors and in semiconductor manufacturing for specific purification and modification processes.

What precautions should be taken when handling 2-Methyl-2-propanyl 1,4-diazepane-1-carboxylate (CAS: 112275-50-0)?

When handling 2-Methyl-2-propanyl 1,4-diazepane-1-carboxylate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize exposure to vapors. In case of a spill, the area should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.