2,2-Difluoromalonamide

Base Information

• Chemical Name: 2,2-Difluoromalonamide
• CAS No.: 425-99-0
• Molecular Formula: C3H4 F2 N2 O2
• Molecular Weight: 138.07
• Hs Code.: 2924199090
• European Community (EC) Number: 822-893-3
• NSC Number: 92221
• DSSTox Substance ID: DTXSID00195283
• Wikidata: Q83068162
• Mol file: 425-99-0.mol

Synonyms:2,2-Difluoromalonamide;425-99-0;2,2-difluoropropanediamide;difluoropropanediamide;NSC92221;difluoromalonamide;NSC 92221;NCIOpen2_001578;SCHEMBL473675;C3H4F2N2O2;DTXSID00195283;JOAFJXFAASLOHI-UHFFFAOYSA-N;MFCD00042249;NSC-92221;AKOS006223208;AS-57787;CS-0047389;FT-0609238;W10321;4-((p-methoxybenzyl)amino)-7-nitro-benzofurazan;EN300-1272571;Z1203578477

Chemical Property of 2,2-Difluoromalonamide

Chemical Property:

• Vapor Pressure: 9.84E-08mmHg at 25°C
• Melting Point: 206-207°C
• Boiling Point: 223.5°Cat760mmHg
• PKA: 12.85±0.50(Predicted)
• Flash Point: 99.9°C
• PSA: 86.18000
• Density: 1.238g/cm³
• LogP: -0.00710
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 138.02408370
• Heavy Atom Count: 9
• Complexity: 140

Purity/Quality:

98%min ^*data from raw suppliers

2,2-Difluoromalonamide 90% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: C(=O)(C(C(=O)N)(F)F)N
• Uses: 2,2-Difluoromalonamide is a useful reagent for the synthesis of fluorine-containing endothiopeptide analogs.

Technology Process of 2,2-Difluoromalonamide

There total 4 articles about 2,2-Difluoromalonamide 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: 99.0%

diethyl 2,2-difluoromalonate (680-65-9) → Difluor-malonsaeure-diamid (425-99-0)

Guidance literature:

With ammonia; In methanol; at 0 ℃; for 3.75h;

Reference yield:

dimethyl 2,2-difluoro-malonate (379-95-3) → Difluor-malonsaeure-diamid (425-99-0)

Guidance literature:

With diethyl ether; ammonia; at 0 ℃;

Reference yield:

chlorure de difluoromalonyle (425-98-9) → Difluor-malonsaeure-diamid (425-99-0)

Guidance literature:

With diethyl ether; ammonia;

upstream raw materials:

chlorure de difluoromalonyle

dimethyl 2,2-difluoro-malonate

diethyl 2,2-difluoromalonate

Refernces

• 1、 -. "USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS". Page/Page column 126. . Retrieved 2020/09/12.
• 2、 -. "9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF". Page/Page column 55. . Retrieved 2012/08/28.