Home Cart Sign in  
Chemical Structure| 55404-29-0 Chemical Structure| 55404-29-0

Structure of 55404-29-0

Chemical Structure| 55404-29-0

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 55404-29-0 ]

CAS No. :55404-29-0
Formula : C9H6N2O3
M.W : 190.16
SMILES Code : O=C1NC=C([N+]([O-])=O)C2=C1C=CC=C2
MDL No. :MFCD00030740
InChI Key :HBIRBNQMLAPWOH-UHFFFAOYSA-N
Pubchem ID :824651

Safety of [ 55404-29-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 55404-29-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 55404-29-0 ]

[ 55404-29-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 55404-29-0 ]
  • [ 521-73-3 ]
YieldReaction ConditionsOperation in experiment
17% [00163] Isoquinoline-1, 3, 4(2Lf)-trione (15). A suspension of 14 (0.200 g, 1.05 mmol) in EtOH:EtOAc (8 mL, 1 : 1) was bubbled with N2 for 10 min before adding 10% Pd/C (0.171 g, 0.158 mmol). Then, was bubbled through the mixture for 5 min. The solution was stirred at room temperature under (1 atm, balloon) for 24 h and filtered over Celite. The Celite pad was washed consecutively with PhMe and MeOH until colored material stopped eluting. The filtrate was concentrated to give a solid that was dissolved in in MeOH (400 mL) and treated with methylene blue (0.010 g, 0.032 mmol). The solution was passed through the tubing under at a rate of 1.9 mL/min using the peristaltic pump (5 RPM) under LED irradiation. The tubing was flushed with MeOH (50 mL). The reaction mixture was concentrated to give a blue solid which was purified by chromatography on S1O2 (dry load, EtOAc: hexanes, 1 :2.5) to give 15 (0.032 g, 17%) as a green solid: Mp 226-228 C; IR (ATR) Vmax 3194, 3114, 2923, 1685, 1589, 1332, 1272, 1129, 974, 823, 794 cm 1; NMR (300 MHz, DMSO-7e) d 11.94 (brs, 1 H), 8.13 (dd, J= 8.4, 1.2 Hz, 1 H), 8.05 (dd, J= 7.2, 1.2, Hz, 1 H), 7.95-7.85 (m, 2 H); 13C NMR (75 MHz, DMSO-76) d 175.5, 163.2, 157.5, 134.9, 134.0, 132.3, 129.8, 128.1, 126.7; HRMS (ESI-) m/z calcd for C9H4O3N (M-H) 174.0192, found, 174.0186.
 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 55404-29-0 ]

Amides

Chemical Structure| 33930-79-9

A615690 [33930-79-9]

2-Methyl-4-nitroisoquinolin-1(2H)-one

Similarity: 0.99

Nitroes

Chemical Structure| 33930-79-9

A615690 [33930-79-9]

2-Methyl-4-nitroisoquinolin-1(2H)-one

Similarity: 0.99

Related Parent Nucleus of
[ 55404-29-0 ]

Isoquinolines

Chemical Structure| 33930-79-9

A615690 [33930-79-9]

2-Methyl-4-nitroisoquinolin-1(2H)-one

Similarity: 0.99