66938-02-1

Basic information

• Product Name: 2,3-DIHYDRO-1H-ISOINDOLE-1-CARBOXYLIC ACID
• Synonyms: (R,S)-1,3-DIHYDRO-2H-ISOINDOLE CARBOXYLIC ACID;2,3-DIHYDRO-1H-ISOINDOLE-1-CARBOXYLIC ACID;H-DISC-OH;H-Disc-OH·HCl;Isoindoline-1-carboxylic acid;1H-Isoindole-1-carboxylic acid, 2,3-dihydro-
• CAS NO: 66938-02-1
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.17
• EINECS: 1806241-263-5
• Product Categories: pharmacetical
• Mol File: 66938-02-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 347.231°C at 760 mmHg
• Flash Point: 163.799°C
• Appearance: /
• Density: 1.287g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.598
• Storage Temp.: Store at 0°C
• PKA: 1.80±0.20(Predicted)
• CAS DataBase Reference: 2,3-DIHYDRO-1H-ISOINDOLE-1-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-DIHYDRO-1H-ISOINDOLE-1-CARBOXYLIC ACID(66938-02-1)
• EPA Substance Registry System: 2,3-DIHYDRO-1H-ISOINDOLE-1-CARBOXYLIC ACID(66938-02-1)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26
• Hazardous Substances Data: 66938-02-1(Hazardous Substances Data)

Usage

General Description

2,3-Dihydro-1H-isoindole-1-carboxylic acid is a chemical compound generally used in the field of organic chemistry as a reactant, specifically in the synthesis of various types of molecules in drug discovery and development. It is often utilized in chemical reactions due to the potential biological activity of its derivatives. Its molecular structure consists of a backbone of carbon atoms, along with hydrogen and oxygen atoms to form carboxylic acid. Besides, it has a complex structure which includes a 2,3-dihydro-1H-isoindole ring. However, specific details about its physical and chemical properties can vary, depending on the particular preparation or synthesis method.

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

Upstream product

• 221352-46-1 2-(tert-butoxycarbonyl)isoindoline-1-carboxylic acid 
• 50-00-0 formaldehyd 
• 2835-06-5 phenylglycin 

Downstream Products

• 887928-31-6 2N-(4-chlorophenylaminocarbonyl)-2,3-dihydro-1H-isoindole-1-carboxylic acid 

Relevant articles and documents

Synthesis method of multi-configuration isoindoline-1-carboxylic acid amino acid compound

The invention relates to a synthesis method of a multi-configuration isoindoline-1-carboxylic acid amino acid compound. The synthesis method comprises the following steps: under an acidic condition, the isoindoline-1-carboxylic acid amino acid compound of the compound shown in the formula II or the isomer of the isoindoline-1-carboxylic acid amino acid compound is prepared by reacting the compoundshown in the formula I or the isomer of the compound with formaldehyde, wherein the structural formula of the compound shown in the formula I is shown in the specification, the structural formula ofthe compound shown in the formula II is shown in the specification, and in the formula I and the formula II, R is one of H, alkyl, alkoxy, halogen and trifluoromethyl. According to the synthesis method disclosed by the invention, multi-configuration 2-amino-2-phenylacetic acid or benzene ring mono-substituted 2-amino-2-phenylacetic acid is used as an initial raw material, and under an acidic condition, the initial raw materials are reacted with formaldehyde to prepare a product, namely a multi-configuration isoindoline-1-carboxylic acid amino acid compound; compared with the existing synthesismethod, the method has the advantages that the operation steps are simple, the reaction does not need high temperature higher than 100 DEG C, the reaction temperature is mild, the energy consumptionis low, and the yield of the product is up to 82% or above.

N-arylsulfonyl aryl aza-bicyclic derivatives as potent cell adhesion inhibitors

Compounds of Formula I are antagonists of VLA-4 and/or alpha4/beta7, and as such are useful in the inhibition or prevention of cell adhesion and cell-adhesion mediated pathologies. These compounds may be formulated into pharmaceutical compositions and are suitable for use in the treatment of AIDS-related dementia, allergic conjunctivitis, allergic rhinitis, Alzheimer's disease, asthma, atherosclerosis, autologous bone marrow transplantation, certain types of toxic and immune-based nephritis, contact dermal hypersensitivity, inflammatory bowel disease including ulcerative colitis and Crohn's disease, inflammatory lung diseases, inflammatory sequelae of viral infections, meningitis, multiple sclerosis, multiple myeloma, myocarditis, organ transplantation, psoriasis, pulmonary fibrosis, restenosis, retinitis, rheumatoid arthritis, septic arthritis, stroke, tumor metastasis, uveititis, and type I diabetes.