1H-Isoindole-1-carboxylic acid, 2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-2,3-dihydro-

Base Information

Chemical Name:1H-Isoindole-1-carboxylic acid, 2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-2,3-dihydro-
CAS No.:66937-38-0
Molecular Formula:C27H31N5O7S
Molecular Weight:569.6293
Hs Code.:
ChEMBL ID:CHEMBL416014

1H-Isoindole-1-carboxylic acid, 2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-2,3-dihydro-

Synonyms:CHEMBL416014;2-((N2-6,7-Dimethoxy-2-naphthalenesulfonyl)-L-arginyl)isoindoline-1-carboxylic acid;1H-Isoindole-1-carboxylic acid, 2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-2,3-dihydro-;66937-38-0;C27H31N5O7S;BDBM50404437;C27-H31-N5-O7-S;LS-84494

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Chemical Property of 1H-Isoindole-1-carboxylic acid, 2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-2,3-dihydro-

Chemical Property:

Vapor Pressure:3.9E-32mmHg at 25°C
Boiling Point:867.6°Cat760mmHg
Flash Point:478.5°C
Density:1.46g/cm³
XLogP3:1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:569.19441952
Heavy Atom Count:40
Complexity:1030

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)N3CC4=CC=CC=C4C3C(=O)O)OC

Technology Process of 1H-Isoindole-1-carboxylic acid, 2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-2,3-dihydro-

There total 8 articles about 1H-Isoindole-1-carboxylic acid, 2-(5-((aminoiminomethyl)amino)-2-(((6,7-dimethoxy-2-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-2,3-dihydro- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 2188-18-3
Boc-Arg(NO₂)-OH

: 66937-38-0
2-[N2-(6,7-dimethoxy-2-naphthalenesulfonyl)-L-arginyl]isoindoline-1-carboxylic acid

Guidance literature:: Multi-step reaction with 6 steps

1: tetrahydrofuran / 0.25 h / -20 °C

2: tetrahydrofuran / 1.) -20 deg C, 10 min, 2.) RT, 1 h

3: HCl / ethyl acetate / 3 h

4: Et₃N / CH₂Cl₂ / 4 h

5: H₂ / Pd black / ethanol; acetic acid / 30 h / Ambient temperature

6: 1 N aq. NaOH / ethanol / 30 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; hydrogen; triethylamine; palladium; In tetrahydrofuran; ethanol; dichloromethane; acetic acid; ethyl acetate;
DOI:10.1021/jm00186a003

Reference yield:

: Boc-Arg(NO₂^G)-OIBC

: 66937-38-0
2-[N2-(6,7-dimethoxy-2-naphthalenesulfonyl)-L-arginyl]isoindoline-1-carboxylic acid

Guidance literature:: Multi-step reaction with 5 steps

1: tetrahydrofuran / 1.) -20 deg C, 10 min, 2.) RT, 1 h

2: HCl / ethyl acetate / 3 h

3: Et₃N / CH₂Cl₂ / 4 h

4: H₂ / Pd black / ethanol; acetic acid / 30 h / Ambient temperature

5: 1 N aq. NaOH / ethanol / 30 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; hydrogen; triethylamine; palladium; In tetrahydrofuran; ethanol; dichloromethane; acetic acid; ethyl acetate;
DOI:10.1021/jm00186a003

Reference yield:

: 783251-87-6
2,3-Dihydro-1H-isoindole-1-carboxylic acid ethyl ester

: 66937-38-0
2-[N2-(6,7-dimethoxy-2-naphthalenesulfonyl)-L-arginyl]isoindoline-1-carboxylic acid

Guidance literature:: Multi-step reaction with 5 steps

1: tetrahydrofuran / 1.) -20 deg C, 10 min, 2.) RT, 1 h

2: HCl / ethyl acetate / 3 h

3: Et₃N / CH₂Cl₂ / 4 h

4: H₂ / Pd black / ethanol; acetic acid / 30 h / Ambient temperature

5: 1 N aq. NaOH / ethanol / 30 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; hydrogen; triethylamine; palladium; In tetrahydrofuran; ethanol; dichloromethane; acetic acid; ethyl acetate;
DOI:10.1021/jm00186a003