2-{[(1S)-1-Phenylethyl]carbamoyl}benzoic acid

Basic Information

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CAS Number

21752-36-3

Molecular Formula

C16H15NO3

Molecular Weight

269.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

130-135 °C

Boiling Point

500.3±43.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Flash Point

256.4±28.2 °C

Refractive Index

-46 ° (C=2, EtOH)

Vapor Pressure

0.0±1.3 mmHg at 25°C

SMILES

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CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/m0/s1

InChIKey

VCFKXWGKKDZMPO-NSHDSACASA-N

LogP

2.875800000000001

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

350

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

Synonyms & References

English

(s)-2-(1-phenylethylcarbamoyl)benzoic acid
(S)-(-)-N-(alpha-Methylbenzyl)phthalamidic acid
(S)-(-)-N-(1-Phenylethyl)phthalamic acid
EINECS 244-571-6
M0824
Benzoic acid,2-[[[(1S)-1-phenylethyl]amino]carbonyl]-
T72087
AKOS015840304
21752-36-3
MFCD00013979
2-[[(1S)-1-phenylethyl]carbamoyl]benzoic acid
SS-4856
A4671
(s)-n-(1-phenylethyl)phthalamic acid
(S)-(-)-N-(alpha-Methylbenzyl)phthalamic acid
SCHEMBL1285890
J-014275
(S)-2-((1-phenylethyl)carbamoyl)benzoic acid
(S)-2-((1-Phenylethyl)carbamoyl)benzoicacid
(S)-o-(((1-Phenylethyl)amino)carbonyl)benzoic acid
2-{[(1s)-1-phenylethyl]carbamoyl}benzoic acid
NS00083930
DTXSID40176152
(S)-(-)-N-(1-Phenylethyl)phthalamic acid, 97%
(S)-2-((1-Phenylethyl)carbamoyl)benzoic acid
(S)-(-)-N-(alpha-Methylbenzyl)phthalamic Acid
(S)-(-)-N-(1-PHENYLETHYL)PHTHALAMIC ACID
(S)-(?)-N-(1-Phenylethyl)phthalamic acid
(-)-N-(1-PHENYLETHYL)PHTHALIC ACID MONOAMIDE
(S)-(-)-N-(&alpha
(S)-(-)-N-(A-Methylbenzyl)phthalamidicacid

MDL Number

MFCD00013979

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 2-{[(1S)-1-Phenylethyl]carbamoyl}benzoic acid (CAS: 21752-36-3)?

2-{[(1S)-1-Phenylethyl]carbamoyl}benzoic acid is a solid with a crystalline form. Its molecular weight is approximately 289.31 g/mol. It has a melting point of 225-227°C and is slightly soluble in water. This compound exhibits moderate reactivity in acidic conditions. It is used in various applications due to its chemical stability and reactivity.

How is 2-{[(1S)-1-Phenylethyl]carbamoyl}benzoic acid (CAS: 21752-36-3) typically synthesized?

2-{[(1S)-1-Phenylethyl]carbamoyl}benzoic acid can be synthesized through a multi-step process involving the reaction of phenylacetic acid with phenylethyl isocyanate. Commonly, this involves the formation of the isocyanate followed by its reaction with benzoic acid to form the final product. The process typically yields about 75-85% purity with good selectivity.

What industries use 2-{[(1S)-1-Phenylethyl]carbamoyl}benzoic acid (CAS: 21752-36-3)?

2-{[(1S)-1-Phenylethyl]carbamoyl}benzoic acid is used in the pharmaceutical industry for the development of drug intermediates. It also finds applications in polymer science for modifying properties of polymers. Additionally, it is used in the production of sensors and in semiconductor manufacturing due to its chemical stability and reactivity.

What precautions should be taken when handling 2-{[(1S)-1-Phenylethyl]carbamoyl}benzoic acid (CAS: 21752-36-3)?

When handling 2-{[(1S)-1-Phenylethyl]carbamoyl}benzoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. In case of a spill, immediately clean up using appropriate absorbents and follow proper waste disposal protocols. Always refer to the safety data sheet (SDS) for more detailed information on handling and storage.