(2S)-2-Indolinecarboxylic acid

Basic Information

View in Editor

CAS Number

79815-20-6

Molecular Formula

C9H9NO2

Molecular Weight

163.18 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

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

177 °C (dec.)

Boiling Point

290.25°C (rough estimate)

Density

1.2021 (rough estimate)

Flash Point

183.6℃

Refractive Index

-116 ° (C=1, 2mol/L HCl)

Specific Rotation

-112.5 º (c=1, 1N HCl)

SMILES

View in Editor

C1C(NC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1

InChIKey

QNRXNRGSOJZINA-QMMMGPOBSA-N

LogP

1.1078

Topological Polar Surface Area

49.33 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

193

Safety Information

View Safety Information

GHS Hazard Pictograms

H317

H373

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Synonyms & References

English

MFCD00070578
DTXSID101036449
NS00004878
Indoline-2-carboxylic acid, (S)-
HMS2789H07
HMS548I02
SR-01000637030-1
CHEMBL1423103
L-Indoline-2-carboxylic acid
AKOS010367743
AM20060465
EN300-59226
A839763
I-5091
(S)-(-)-Indolin-2-carboxylic acid
MLS000849837
h-idc-oh
SMR000455855
L-(-)-Indoline-2-carboxylic acid
UNII-57XK524B7M
(2S)-indoline-2-carboxylic acid;(S)-Indoline-2-carboxylic Acid
(s)-2,3-dihydro-1h-indole-2-carboxylic acid
CDS1_000178
NCGC00246667-01
S-(-)INDOLINE-2-CARBOXYLIC ACID
I0395
(-)-Indoline-2-carboxylic acid
(S)-(-)-Indoline-2-carboxylic acid, 99%
57XK524B7M
(2S)-2,3-dihydroindole-2-carboxylic acid
FS-2244

MDL Number

MFCD00070578

FAQ

What is (2S)-2-Indolinecarboxylic acid (CAS: 79815-20-6)?

(2S)-2-Indolinecarboxylic acid is a chiral organic compound with the chemical formula C10H11NO2. It belongs to the indolinecarboxylic acid family and is characterized by its bicyclic structure, containing a seven-membered indole ring fused to a five-membered pyrrolidone ring. This compound is commonly used as a pharmaceutical intermediate and exhibits specific stereochemical properties due to the (2S) configuration.

What are the main uses of (2S)-2-Indolinecarboxylic acid (CAS: 79815-20-6)?

(2S)-2-Indolinecarboxylic acid (CAS: 79815-20-6) is primarily utilized in pharmaceutical research for the synthesis of drugs targeting neurological disorders and inflammation. It serves as a key building block in organic chemistry, contributing to the development of medications and other bioactive compounds. Its unique structure also makes it valuable in academic studies for understanding stereochemistry and reaction mechanisms.

Is (2S)-2-Indolinecarboxylic acid (CAS: 79815-20-6) safe?

The safety of (2S)-2-Indolinecarboxylic acid (CAS: 79815-20-6) depends on exposure conditions. It is generally considered safe in controlled laboratory settings when handled properly, but standard precautions are recommended. Avoid skin contact and inhalation, and use appropriate PPE. Safety data sheets should be consulted for specific guidelines on toxicity and emergency measures.

How should (2S)-2-Indolinecarboxylic acid (CAS: 79815-20-6) be stored?

(2S)-2-Indolinecarboxylic acid (CAS: 79815-20-6) should be stored in a cool, dry, and dark place to maintain stability. Keep in a sealed container to prevent moisture absorption and degradation. Avoid exposure to air and light, and store at temperatures below 25°C. Proper storage ensures optimal shelf life and minimizes chemical hazards.