2-Methyl-2-propanyl 3-formyl-1-azetidinecarboxylate

Basic Information

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CAS Number

177947-96-5

Molecular Formula

C9H15NO3

Molecular Weight

185.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Liquid

Boiling Point

257 ºC

Flash Point

109 ºC

Refractive Index

1.4600 to 1.4640

SMILES

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

InChI

InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h6-7H,4-5H2,1-3H3

InChIKey

JVQOZRRUGOADSU-UHFFFAOYSA-N

LogP

1.0522

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

213

Safety Information

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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

Sensitiveness

Air Sensitive

Synonyms & References

English

1-Boc-3-Formylazetidine
DTXSID00443973
Azetidine-3-carboxaldehyde
EN300-71371
Z1139750777
FT-0648156
Azetidine-3-carboxaldehyde, N-BOC protected
J-011333
1-Boc-azetidine-3-carboxaldehyde
AC-24373
3-formylazetidine-1-carboxylic acid tert-butyl ester
JVQOZRRUGOADSU-UHFFFAOYSA-N
1,1-dimethylethyl 3-formyl-1-azetidinecarboxylate
1-(tert-butoxycarbonyl)-3-azetidinecarboxaldehyde
177947-96-5
3-Formyl-azetidine-1-carboxylic acid tert-butyl ester
1-Boc-3-azetidinecarboxaldehyde
MFCD06656142
3-formylazetidine-1-carboxylic acid tert-butylester
3-Formylazetidine-1-car-boxylic acid tert-butyl ester
SB10124
1-Azetidinecarboxylic acid, 3-formyl-, 1,1-dimethylethyl ester
1-Boc-3-azetidinecarboxaldehyde pound>>1-Boc-3-Formylazetidine pound>>Azetidine-3-carboxaldehyde
tert-butyl3-formylazetidine-1-carboxylate
1-(tert-butoxycarbonyl)azetidine-3-carboxaldehyde
CS-W004759
AKOS005146136
Tert-butyl 3-formylazetidine-1-carboxylate
Azetidine-3-carboxaldehyde, N1-BOC protected
B5160
1-Boc-3-Formyl azetidine

MDL Number

MFCD06656142

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-formyl-1-azetidinecarboxylate (CAS: 177947-96-5)?

2-Methyl-2-propanyl 3-formyl-1-azetidinecarboxylate (CAS: 177947-96-5) must comply with the GHS classification, which includes handling, storage, and transport under the GHS criteria. In Europe, it is subject to REACH regulations, ensuring the safe use of chemicals. For FDA/EPA compliance, it is important to adhere to specific testing and registration requirements for its intended uses, particularly in pharmaceuticals and agrochemicals.

Are there alternatives to 2-Methyl-2-proanyl 3-formyl-1-azetidinecarboxylate (CAS: 177947-96-5) in synthesis?

While specific alternatives may vary based on the application, common reagents like formic acid and methyl propyl ketone can be used as substitutes. Other alternatives include isomers or analogs such as 3-formyl-1-azetidinecarboxylic acid or similar functionalized compounds. These alternatives can offer similar structural features, potentially reducing costs or improving reactivity in synthesis.

What is the market or research trend for 2-Methyl-2-proanyl 3-formyl-1-azetidinecarboxylate (CAS: 177947-96-5)?

The market and research trend for 2-Methyl-2-proanyl 3-formyl-1-azetidinecarboxylate (CAS: 177947-96-5) is growing, mainly due to its applications in pharmaceuticals and agrochemicals. Research is focusing on its potential in developing new drugs and crop protection agents. Market trends show increasing demand for this compound, particularly in the Asia-Pacific region, driven by growing healthcare and agricultural sectors.

How should waste containing 2-Methyl-2-proanyl 3-formyl-1-azetidinecarboxylate (CAS: 177947-96-5) be handled?

Waste containing 2-Methyl-2-proanyl 3-formyl-1-azetidinecarboxylate (CAS: 177947-96-5) should be collected in appropriate, labeled containers and stored in a secure, well-ventilated area. For disposal, it is recommended to consult the Material Safety Data Sheet (MSDS) for specific guidelines. Professional waste disposal services are advisable to ensure compliance with environmental regulations and safe disposal methods. Incineration may be a suitable option, but this should be done in an enclosed, controlled environment to minimize environmental impact.