3-(Benzyloxycarbonylamino)propionaldehyde

Basic Information

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CAS Number

65564-05-8

Molecular Formula

C11H13NO3

Molecular Weight

207.23 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

52-57 °C

Boiling Point

370.1±35.0 °C at 760 mmHg

Density

1.142

Flash Point

177.6±25.9 °C

Refractive Index

1.521

SMILES

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C1=CC=C(C=C1)COC(=O)NCCC=O

InChI

InChI=1S/C11H13NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2,(H,12,14)

InChIKey

PQMOZOQTXKMYSK-UHFFFAOYSA-N

LogP

1.5018

Topological Polar Surface Area

55.400000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

200

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

AC-4333
MFCD05664298
PQMOZOQTXKMYSK-UHFFFAOYSA-N
CS-W008271
benzyl N-(3-oxopropyl)carbamate;BENZYL 3-OXOPROPYLCARBAMATE
SY106992
3-(benzyloxycarbonylamino)propionaldehyde
(3-Oxo-propyl)-carbamic acid benzyl ester
3-(benzyloxycarbonylamino)propion aldehyde
N-Phenylmethoxycarbonyl-3-aminopropanal
Benzyl N-(3-oxopropyl)carbamate
SCHEMBL736590
Benzyl (3-oxopropyl)carbamate
3-(Cbz-amino)propanal
65564-05-8
3-(N-benzyloxycarbonylamino)propionaldehyde
FT-0641024
3-[(Benzyloxycarbonyl)amino]propionaldehyde, 95%
3-[(Benzyloxycarbonyl)amino]propionaldehyde
benzyl-(3-oxopropyl)carbamate
3-[(Carbobenzyloxy)amino]propionaldehyde
3-Aminopropanal, N-CBZ protected
DTXSID90439249
Benzyl 3-oxopropylcarbamate
3-(benzyloxycarbonylamino)-1-propanal
Carbamic acid, (3-oxopropyl)-, phenylmethyl ester
N-Cbz-3-Aminopropionaldehyde
3-(benzyloxycarbonylamino)propanal
DS-13654
3-[(Benzyloxycarbonyl)amino]-1-propanal
n-cbz-3-aminopropanal

MDL Number

MFCD05664298

FAQ

What are the physical and chemical properties of 3-(Benzyloxycarbonylamino)propionaldehyde (CAS: 65564-05-8)?

3-(Benzyloxycarbonylamino)propionaldehyde is a colorless or white crystalline solid with a molecular weight of approximately 241.26 g/mol. It has a pKa of about 15.2. The compound is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It is reactive, particularly towards nucleophilic attack at the amino group and the aldehyde group.

How is 3-(Benzyloxycarbonylamino)propionaldehyde (CAS: 65564-05-8) typically synthesized?

3-(Benzyloxycarbonylamino)propionaldehyde is usually synthesized via the condensation of benzyloxycarbonyl chloride with propionic aldehyde. The reaction is catalyzed by Lewis acids like aluminum chloride. The yield is around 70-75%, and the selectivity is high for the desired product.

What industries use 3-(Benzyloxycarbonylamino)propionaldehyde (CAS: 65564-05-8)?

3-(Benzyloxycarbonylamino)propionaldehyde is used in the pharmaceutical industry as a precursor for the synthesis of various bioactive molecules. It is also employed in the polymer industry for the preparation of functionalized polymers and in the semiconductor industry for the production of photoresists.

What precautions should be taken when handling 3-(Benzyloxycarbonylamino)propionaldehyde (CAS: 65564-05-8)?

When handling 3-(Benzyloxycarbonylamino)propionaldehyde, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be performed in a well-ventilated area or fume hood. Spills should be carefully cleaned up using appropriate absorbents, and disposal should follow local regulations. Always refer to the Material Safety Data Sheet (MSDS/SDS) for specific handling instructions.