Sodium nitromalonaldehyde monohydrate

Base Information

• Chemical Name: Sodium nitromalonaldehyde monohydrate
• CAS No.: 34461-00-2
• Molecular Formula: C3H2 N O4 . Na
• Molecular Weight: 139.043
• Hs Code.: 2914190090
• European Community (EC) Number: 636-459-4
• Mol file: 34461-00-2.mol

Synonyms:Sodium 2-nitro-1,3-dioxopropan-2-ide;34461-00-2;Sodium 2-nitro-3-oxoprop-1-en-1-olate;1056938-59-0;sodium;(E)-2-nitro-3-oxoprop-1-en-1-olate;starbld0048198;MFCD28502699;propanedial, aci-nitro-, sodium salt;AKOS003346470;AKOS009031160;AKOS027473598;EN300-14792

Chemical Property of Sodium nitromalonaldehyde monohydrate

Chemical Property:

• Vapor Pressure: 0.00222mmHg at 25°C
• Melting Point: 120-124oC
• Boiling Point: 257.1°C at 760 mmHg
• Flash Point: 126.1°C
• PSA: 85.95000
• Density: 1.363g/cm3
• LogP: -0.64350
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 138.98815183
• Heavy Atom Count: 9
• Complexity: 123

Purity/Quality:

98.0% ^*data from raw suppliers

Sodium nitromalonaldehyde monohydrate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,C
• Statements: 11-14-18-19-20/21/22-34
• Safety Statements: 16-26-33-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(=C(C=O)[N+](=O)[O-])[O-].[Na+]
• Isomeric SMILES: C(=C(\C=O)/[N+](=O)[O-])\[O-].[Na+]
• Uses: Sodium Nitropropanedial is used in preparation of phenylpyrrolopyridinylheteroarylcarboxamide derivatives. and analogs for use as c-kit protein kinases or mutant c-kit protein kinases modulators.

Technology Process of Sodium nitromalonaldehyde monohydrate

There total 6 articles about Sodium nitromalonaldehyde monohydrate 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: 57.0%

mucobromic acid (488-11-9) → nitromalondialdehyde sodium salt (34461-00-2)

Guidance literature:

With sodium nitrite; In ethanol; at 54 ℃;

DOI:10.1016/S0960-894X(00)00028-7

Reference yield: 49.0%

(2E)-2,3-dibromo-4-oxobut-2-enoic acid (90994-06-2) + sodium nitrite (7632-00-0) → nitromalondialdehyde sodium salt (34461-00-2)

Guidance literature:

In ethanol; water; at 54 ℃; for 2h;

Reference yield: 42.0%

mucobromic acid (766-38-1) → nitromalondialdehyde sodium salt (34461-00-2)

Guidance literature:

mucobromic acid; With palladium 10% on activated carbon; sodium nitrite; In ethanol; water; for 1.25h;

In ethanol; water; Reflux;

DOI:10.1039/c4ob01129e

upstream raw materials:

mucobromic acid

mucobromic acid

(2E)-2,3-dibromo-4-oxobut-2-enoic acid

sodium nitrite

Downstream raw materials:

2,6-Diisopropyl-4-nitrophenol

(2-hydroxy-5-nitro-phenyl)-acetone

3-nitro-7-phenyl-8-cyanopyrazolo<1,5-a>pyrimidine

1,3-bis(1-methyl-2-phenylindol-3-yl)-2-nitro-3-hydroxy-1-propene

Refernces

• 1、 Hao, Chenzhou,Huang, Wanxu,Li, Xiaodong,Guo, Jing,Chen, Meng,Yan, Zizheng,Wang, Kai,Jiang, Xiaolin,Song, Shuai,Wang, Jian,Zhao, Dongmei,Li, Feng,Cheng, Maosheng. "Development of 2, 4-diaminoquinazoline derivatives as potent PAK4 inhibitors by the core refinement strategy". . p. 1 - 13. Retrieved 2017/03/16.
• 2、 -. "NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF". Paragraph 0557; 0558; 0559. . Retrieved 2014/10/29.