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1-[(Benzyloxy)carbonyl]-2-indolinecarboxylic acid is an organic compound that serves as a reagent in the synthesis of various chemical compounds. It is characterized by its benzyloxycarbonyl group attached to an indolinecarboxylic acid backbone, which provides unique chemical properties and reactivity.

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  • 117483-89-3 Structure
  • Basic information

    1. Product Name: 1-[(BENZYLOXY)CARBONYL]-2-INDOLINECARBOXYLIC ACID
    2. Synonyms: 1-[(BENZYLOXY)CARBONYL]-2-INDOLINECARBOXYLIC ACID;BUTTPARK 95\50-74;1-[(Benzyloxy)carbonyl]-2-indolinecarboxylic acid, 90+%;1-[(Benzyloxy)carbonyl]indoline-2-carboxylic acid;2,3-Dihydro-1H-indole-1,2-dicarboxylic acid 1-benzyl ester;1-CBZ-2-indolinecarboxylic acid;1H-Indole-1,2-dicarboxylic acid, 2,3-dihydro-, 1-(phenylMethyl) ester
    3. CAS NO:117483-89-3
    4. Molecular Formula: C17H15NO4
    5. Molecular Weight: 297.31
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 117483-89-3.mol
  • Chemical Properties

    1. Melting Point: 103-105°C
    2. Boiling Point: 499.4°Cat760mmHg
    3. Flash Point: 255.8°C
    4. Appearance: /
    5. Density: 1.35g/cm3
    6. Vapor Pressure: 8.59E-11mmHg at 25°C
    7. Refractive Index: 1.636
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 3.85±0.20(Predicted)
    11. CAS DataBase Reference: 1-[(BENZYLOXY)CARBONYL]-2-INDOLINECARBOXYLIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-[(BENZYLOXY)CARBONYL]-2-INDOLINECARBOXYLIC ACID(117483-89-3)
    13. EPA Substance Registry System: 1-[(BENZYLOXY)CARBONYL]-2-INDOLINECARBOXYLIC ACID(117483-89-3)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 117483-89-3(Hazardous Substances Data)

117483-89-3 Usage

Uses

Used in Pharmaceutical Industry:
1-[(Benzyloxy)carbonyl]-2-indolinecarboxylic acid is used as a reagent in the preparation of dihydroisoxazole derivatives, which are important intermediates in the synthesis of pharmaceutical compounds. These derivatives have potential applications in the development of new drugs with diverse therapeutic properties.
Used as a Transglutaminase 2 Enzyme Inhibitor:
1-[(Benzyloxy)carbonyl]-2-indolinecarboxylic acid is also used as a transglutaminase 2 enzyme inhibitor. Transglutaminase 2 is an enzyme involved in various biological processes, including cell adhesion, wound healing, and blood clotting. Inhibition of this enzyme can have therapeutic benefits in treating conditions such as fibrosis, where excessive cross-linking of proteins by transglutaminase 2 can lead to tissue scarring and organ dysfunction. By inhibiting the activity of transglutaminase 2, 1-[(Benzyloxy)carbonyl]-2-indolinecarboxylic acid may help to reduce the severity of these conditions and improve patient outcomes.

Check Digit Verification of cas no

The CAS Registry Mumber 117483-89-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,4,8 and 3 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 117483-89:
(8*1)+(7*1)+(6*7)+(5*4)+(4*8)+(3*3)+(2*8)+(1*9)=143
143 % 10 = 3
So 117483-89-3 is a valid CAS Registry Number.
InChI:InChI=1/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)

117483-89-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1-benzyloxycarbonyl-2,3-dihydroindole-2-carboxylic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:117483-89-3 SDS

117483-89-3Relevant articles and documents

Stereoselective synthesis of diazabicyclic β-lactams through intramolecular amination of unactivated C(sp3)-H bonds of carboxamides by palladium catalysis

Zhang, Shi-Jin,Sun, Wen-Wu,Cao, Pei,Dong, Xiao-Ping,Liu, Ji-Kai,Wu, Bin

, p. 956 - 968 (2016/02/19)

An efficient C(sp3)-H bond activation and intramolecular amination reaction via palladium catalysis at the β-position of carboxyamides to make β-lactams was described. The investigation of the substrate scope showed that the current reaction conditions favored activation of the β-methylene group. Short sequences were developed for preparation of various diazabicyclic β-lactam compounds with this method as the key step from chiral proline and piperidine derivatives.

Aromatic pyrrolidine amide prolyl endopeptidase inhibitors

-

, (2008/06/13)

A series of aromatic pyrrolidine derivatives and suitable pharmaceutically acceptable salts thereof are disclosed. These compounds are useful as PEP inhibitors in the treatment of Alzheimer's disease, amnesia, dementia, anxiety ischemia, or stroke.

Renin inhibitors

-

, (2008/06/13)

Polypeptides of relatively low molecular weight and small size; namely derivatives of 4-amino-3-hydroxy-4--substituted butanoic acids and 5-amino-2,5-disubstituted--4-hydroxypentunoic acids for use as inhibitors of the cleavage of angiotensinogen by renin

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