N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine

Basic Information

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CAS Number

17896-84-3

Molecular Formula

C13H12N2O5

Molecular Weight

276.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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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C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCCC(=O)O

InChI

InChI=1S/C13H12N2O5/c16-10(14-6-5-11(17)18)7-15-12(19)8-3-1-2-4-9(8)13(15)20/h1-4H,5-7H2,(H,14,16)(H,17,18)

InChIKey

QEFDVIRGCVDRLF-UHFFFAOYSA-N

LogP

-0.1265000000000001

Topological Polar Surface Area

103.78000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

424

Synonyms & References

English

3-(2-(1,3-Dioxoisoindolin-2-yl)acetamido)propanoicacid
MFCD00057147
SB64090
b-Alanine,N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-(9ci)
Pht-Gly-Beta-Ala-Oh
NSC514501
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid
DTXSID20325641
FT-0697849
A851182
17896-84-3
beta-Alanine, N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]- (9CI)
CS-0333815
NSC-514501
3-(2-(1,3-Dioxoisoindolin-2-yl)acetamido)propanoic acid
AKOS015913961
Pht-Gly--Ala-OH
PHT-GLY-BETA-ALA-OH
Pht-Gly-ß-Ala-OH
AC1L6WQE
AC1Q75NI
AG-E-29168
CTK8G2405
N-phthaloyl-glycyl-β-alanine
Pht-Gly-β-Ala-Oh
Phthaloylglycyl-β-alanin
Pht-Gly-b-Ala-OH
PHTHALYL-GLYCYL-B-ALANINE
Phthaloyl-glycyl-β-alanine
PHTHALYL-GLYCYL-BETA-ALANINE
3-[2-(1,3-dioxoisoindol-2-yl)ethanoylamino]propanoic acid

MDL Number

MFCD00057147

Customs Code

2925190090

FAQ

What are the physical and chemical properties of N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine (CAS: 17896-84-3)?

N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine (CAS: 17896-84-3) is a crystalline solid with a molecular weight of approximately 271.28 g/mol. It is sparingly soluble in water but has good solubility in organic solvents like methanol and acetonitrile. The compound is relatively stable under normal conditions but can react with strong bases. It has a characteristic melting point between 220-225°C.

How is N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine (CAS: 17896-84-3) typically synthesized?

N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine (CAS: 17896-84-3) can be synthesized through a multi-step process involving the reaction of beta-alanine with acetyl chloride in the presence of a suitable catalyst like potassium carbonate. The yield is typically around 70-80%, with high selectivity towards the desired product.

What industries use N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine (CAS: 17896-84-3)?

N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine (CAS: 17896-84-3) is primarily used in pharmaceuticals for the synthesis of complex organic molecules and in the development of new drugs. It also has applications in the production of advanced polymers and in the field of sensors and semiconductors.

What precautions should be taken when handling N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine (CAS: 17896-84-3)?

When handling N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine (CAS: 17896-84-3), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be cleaned up using absorbent materials and the appropriate disposal methods should be followed. Always consult the safety data sheet (SDS) for detailed handling and disposal information.

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N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine | CAS No. 17896-84-3

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

Customs Code

FAQ

What are the physical and chemical properties of N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine (CAS: 17896-84-3)?

How is N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine (CAS: 17896-84-3) typically synthesized?

What industries use N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine (CAS: 17896-84-3)?

What precautions should be taken when handling N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-beta-alanine (CAS: 17896-84-3)?

Related Compounds

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Supplier Information

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Shanghai Chupeptide Biotechnology Co., Ltd.

Shanghai Jieshukai Biotechnology Co., Ltd.

Shanghai Aladdin Bio-Technologies Co., Ltd.

HuBeiGuoYunFuRui Technology Co Ltd

Shanghai Jixiang Biotechnology Co., Ltd.

ShenZhenAiTaHuaXue Co Ltd

Nantong Zhonghe Chemical New Materials Co., Ltd.

Shanghai Hansi Chemical Co., Ltd.

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