Diethyl 1-benzyl-3,3-azetidinedicarboxylate

Basic Information

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CAS Number

642411-11-8

Molecular Formula

C16H21NO4

Molecular Weight

291.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CCOC(=O)C1(CN(C1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C16H21NO4/c1-3-20-14(18)16(15(19)21-4-2)11-17(12-16)10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3

InChIKey

KGNAKGKJEBUHRV-UHFFFAOYSA-N

LogP

1.6147999999999998

Topological Polar Surface Area

55.84 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

351

Synonyms & References

English

MFCD17169917
AMY27021
PB19569
A867919
3,3-Azetidinedicarboxylic acid, 1-(phenylmethyl)-, diethyl ester
Diethyl1-benzylazetidine-3,3-dicarboxylate
SY098619
Diethyl 1-benzylazetidine-3,3-dicarboxylate
AS-34911
KGNAKGKJEBUHRV-UHFFFAOYSA-N
AKOS022185873
SCHEMBL431539
642411-11-8
FT-0730160
3,3-diethyl 1-benzylazetidine-3,3-dicarboxylate
CS-0046119
DTXSID40467375
1-BENZYLAZETIDINE-3,3-DICARBOXYLIC ACID DIETHYL ESTER
C-8748
diethyl 1-benzylazetidine-3,3-dicarboxylate

MDL Number

MFCD17169917

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Diethyl 1-benzyl-3,3-azetidinedicarboxylate (CAS: 642411-11-8)?

Diethyl 1-benzyl-3,3-azetidinedicarboxylate (CAS: 642411-11-8) is subject to various regulatory guidelines including GHS classification for physical and health hazards, REACH regulations in Europe for registration, evaluation, authorization, and restriction of chemicals, and FDA/EPA related requirements for safety and environmental impact. It is important to consult the latest regulatory documents and guidelines for specific handling, storage, and disposal requirements.

Are there alternatives to Diethyl 1-benzyl-3,3-azetidinedicarboxylate (CAS: 642411-11-8) in synthesis?

There are several alternatives to Diethyl 1-benzyl-3,3-azetidinedicarboxylate (CAS: 642411-11-8) in synthesis, such as using isomers or analogs like diethyl 2-benzyl-3,3-azetidinedicarboxylate. Common alternative reagents include other carboxylic acids or their derivatives. It is advisable to explore these options based on the specific needs and conditions of your synthesis.

What is the market or research trend for Diethyl 1-benzyl-3,3-azetidinedicarboxylate (CAS: 642411-11-8)?

The market and research trends for Diethyl 1-benzyl-3,3-azetidinedicarboxylate (CAS: 642411-11-8) are driven by its applications in pharmaceuticals and materials science. There is increasing interest in its use as a precursor in polymer synthesis and as a building block in medicinal chemistry. Recent research focuses on optimizing its synthesis and exploring its potential in new applications. Market trends show steady demand with potential for growth in emerging industries.

How should waste containing Diethyl 1-benzyl-3,3-azetidinedicarboxylate (CAS: 642411-11-8) be handled?

Waste containing Diethyl 1-benzyl-3,3-azetidinedicarboxylate (CAS: 642411-11-8) should be collected in appropriate containers and stored in a secure area. For safe disposal, professional waste treatment or incineration methods are recommended. It is crucial to follow local waste management regulations and consult environmental protection guidelines to ensure proper disposal. Always handle waste with care to prevent environmental contamination and ensure worker safety.