tert-Butyl 3-(2-aminoethyl)azetidine-1-carboxylate

Basic Information

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CAS Number

898271-20-0

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 Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

278℃

Density

1.051

Flash Point

122℃

SMILES

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CC(C)(C)OC(=O)N1CC(C1)CCN

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h8H,4-7,11H2,1-3H3

InChIKey

XQNQFOKZUQWWDO-UHFFFAOYSA-N

LogP

1.2021

Topological Polar Surface Area

55.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

205

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-Azetidinecarboxylicacid, 3-(2-aminoethyl)-, 1,1-dimethylethyl ester
1-Boc-3-(2-aminoethyl)azetidine
1-Boc-3-aminoethylazetidine
1-N-Boc-3-(aminoethyl)azetidine
tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate
3-(2-Aminoethyl)-1-Boc-azetidine
1-Boc-(3-Aminoethyl)azetidine
1-BOC-3-(AMINOETHYL)AZETIDINE
XQNQFOKZUQWWDO-UHFFFAOYSA-N
FCH1358579
PB17680
KS
1,1-Dimethylethyl 3-(2-aminoethyl)-1-azetidinecarboxylate (ACI)
tert-Butyl 3-(2-aminoethyl)azetidine-1-carboxylate
F8887-3829
AKOS005258723
EN300-340771
SY018084
DTXSID10659967
YKB27120
1-Azetidinecarboxylicacid,3-(2-aminoethyl)-,1,1-dimethylethyl ester
J-524469
3-(2-AMINOETHYL)-1-BOC-AZETIDINE
CS-B0450
AS-44775
tert-butyl 3-(2-aminoethyl)-1-azetidinecarboxylate
898271-20-0
SCHEMBL14743842
MFCD09878606
AB6511

MDL Number

MFCD09878606

Customs Code

2933990090

FAQ

What are the physical and chemical properties of tert-Butyl 3-(2-aminoethyl)azetidine-1-carboxylate (CAS: 898271-20-0)?

tert-Butyl 3-(2-aminoethyl)azetidine-1-carboxylate is a solid crystalline compound with a molecular weight of approximately 240.41 g/mol. It has a low water solubility and is relatively stable under normal conditions. It reacts readily with acidic or basic compounds, making it useful in various chemical transformations. It is also known for its high reactivity towards nucleophiles and electrophiles.

How is tert-Butyl 3-(2-aminoethyl)azetidine-1-carboxylate (CAS: 898271-20-0) typically synthesized?

tert-Butyl 3-(2-aminoethyl)azetidine-1-carboxylate is typically synthesized through a multi-step process involving the reaction of tert-butyl azetidine-1-carboxylate with chloroacetylene, followed by nucleophilic substitution to form the aminoethyl derivative. Commonly used catalysts include sodium hydride, and the reaction is performed in an inert atmosphere to prevent side reactions. The overall yield is around 80-85%.

What industries use tert-Butyl 3-(2-aminoethyl)azetidine-1-carboxylate (CAS: 898271-20-0)?

tert-Butyl 3-(2-aminoethyl)azetidine-1-carboxylate is used in the pharmaceutical industry for its amino functionality, which can be used in the synthesis of drugs. It also finds applications in the polymer industry as a precursor for functionalized polymers. Additionally, it is utilized in the production of sensors and semiconductors due to its chemical reactivity and structural properties.

What precautions should be taken when handling tert-Butyl 3-(2-aminoethyl)azetidine-1-carboxylate (CAS: 898271-20-0)?

When handling tert-Butyl 3-(2-aminoethyl)azetidine-1-carboxylate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from heat sources and direct sunlight. Spills should be contained and cleaned up using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.