Propanedioic acid,2-(formylamino)-, 1,3-diethyl ester supplier

Name
DIETHYL FORMAMIDOMALONATE
EINECS 228-692-1
CAS No. 6326-44-9
Article Data11
CAS DataBase
Density 1.167 g/cm³
Solubility
Melting Point 53-55 °C(lit.)
Formula C₈H₁₃NO₅
Boiling Point 316.8 °C at 760 mmHg
Molecular Weight 203.195
Flash Point 165.7 °C
Transport Information
Appearance white adhering crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Malonicacid, formamido-, diethyl ester (6CI,8CI);Propanedioic acid, (formylamino)-,diethyl ester (9CI);(Formylamino)malonic acid diethyl ester;(Formylamino)propanedioic acid diethyl ester;Diethyl (formylamino)malonate;Diethyl formamidomalonate;Formamidomalonic acid diethyl ester;NSC 224129;NSC30639;
PSA 81.70000
LogP 0.25400

Propanedioic acid,2-(formylamino)-, 1,3-diethyl ester Specification

The Propanedioic acid,2-(formylamino)-, 1,3-diethyl ester, with the CAS registry number 6326-44-9, is also known as Diethyl formamidomalonate. It belongs to the product categories of Amides; Carbonyl Compounds; Organic Building Blocks. Its EINECS registry number is 228-692-1. This chemical's molecular formula is C₈H₁₃NO₅ and molecular weight is 203.19. Its IUPAC name is called diethyl 2-formamidopropanedioate. This chemical is white adhering crystalline powder. When you are using this chemical, please be cautious about it. You should avoid contacting it with skin and eyes.

Physical properties of Propanedioic acid,2-(formylamino)-, 1,3-diethyl ester: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): 1.05; (3)ACD/LogD (pH 7.4): 1.05; (4)ACD/BCF (pH 5.5): 3.73; (5)ACD/BCF (pH 7.4): 3.73; (6)ACD/KOC (pH 5.5): 89.25; (7)ACD/KOC (pH 7.4): 89.25; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.445; (12)Molar Refractivity: 46.4 cm³; (13)Molar Volume: 174 cm³; (14)Surface Tension: 38.6 dyne/cm; (15)Density: 1.167 g/cm³; (16)Flash Point: 165.7 °C; (17)Enthalpy of Vaporization: 55.82 kJ/mol; (18)Boiling Point: 316.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0004 mmHg at 25°C.

Uses of Propanedioic acid,2-(formylamino)-, 1,3-diethyl ester: it can be used to produce 2-(3,4-dimethoxy-benzyl)-2-formylamino-malonic acid diethyl ester at ambient temperature. This reaction will need reagent NaH and solvent dimethylsulfoxide with reaction time of 12 hours. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(C(=O)OCC)NC=O
(2)InChI: InChI=1S/C8H13NO5/c1-3-13-7(11)6(9-5-10)8(12)14-4-2/h5-6H,3-4H2,1-2H3,(H,9,10)
(3)InChIKey: PFLHGSJLYNJIOF-UHFFFAOYSA-N

Product Name

DIETHYL FORMAMIDOMALONATE

Propanedioic acid,2-(formylamino)-, 1,3-diethyl ester Specification

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