7-Chloro-3-(hydroxyamino)indol-2-one

Base Information

• Chemical Name: 7-Chloro-3-(hydroxyamino)indol-2-one
• CAS No.: 74396-74-0
• Molecular Formula: C₈H₅ClN₂O₂
• Molecular Weight: 196.593
• Hs Code.: 2933790090
• NSC Number: 30746
• DSSTox Substance ID: DTXSID70417924
• Nikkaji Number: J497.765C
• Wikidata: Q82228163
• Mol file: 74396-74-0.mol

Synonyms:74396-74-0;7-chloro-3-(hydroxyamino)indol-2-one;(3Z)-7-chloro-1H-indole-2,3-dione 3-oxime;7-Chloro-3-(hydroxyimino)indolin-2-one;7-chloro-3-nitroso-1H-indol-2-ol;NSC30746;DTXSID70417924;MFCD16618487;NSC-30746;STK946085;STL373878;AKOS005174850;AKOS005647307;AKOS025248273;AKOS030230129;SB65158;LS-04554;A922930;Z1796621532;(3E)-7-chloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one;(3Z)-7-chloro-3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one;(3E)-7-chloro-3-(oxido-lambda~5~-azanylidene)-1,3-dihydro-2H-indol-2-one

Chemical Property of 7-Chloro-3-(hydroxyamino)indol-2-one

Chemical Property:

• Vapor Pressure: 1.9E-09mmHg at 25°C
• Melting Point: 300 °C
• Boiling Point: 436.4°Cat760mmHg
• PKA: 8.47±0.20(Predicted)
• Flash Point: 217.7°C
• PSA: 61.69000
• Density: 1.67g/cm³
• LogP: 1.60840
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 196.0039551
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

(3Z)-7-Chloro-1H-indole-2,3-dione 3-oxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Cl)NC(=C2N=O)O

Technology Process of 7-Chloro-3-(hydroxyamino)indol-2-one

There total 5 articles about 7-Chloro-3-(hydroxyamino)indol-2-one 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: 52.0%

nitro-acetic acid-(2-chloro-anilide) (143884-77-9) → 7-Chloroindole-2,3-dione 3-Oxime (74396-74-0)

Guidance literature:

With sulfuric acid; Ambient temperature;

DOI:10.1055/s-1992-26223

Reference yield: 12.0%

N-(2-chlorophenyl)-2-isonitrosoacetanilide (14722-82-8) → 7-Chloroindole-2,3-dione 3-Oxime (74396-74-0)

Guidance literature:

With tetrafluoroboric acid; 1-butyl-3-methylimidazolium trifluoromethanesulfonimide; at 135 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2008.07.067

Reference yield:

7-chloroisatin (7477-63-6) → 7-Chloroindole-2,3-dione 3-Oxime (74396-74-0)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; for 0.5h; Heating;

DOI:10.1002/jhet.5570170113

upstream raw materials:

7-chloroisatin

nitro-acetic acid-(2-chloro-anilide)

(2-Chloro-phenyl)-((E)-1-methylsulfanyl-2-nitro-vinyl)-amine

o-chloroaniline

Downstream raw materials:

2,4,8-trichloroquinazoline