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  2. 95-92-1
Diethyl oxalate | 95-92-1

Product name:Diethyl oxalate

CAS No:95-92-1
MF:C6H10O4
MW:146.141202449799
MDL:MFCD00009119
CID:34829
PubChem ID:7268
Introduction
Colorless oily liquid,Have a fragrant smell;Solubility: miscible in ethanol\Ether\Most organic solvents such as ethyl acetate;Density: relative density(water=1)1.08;relative density(atmosphere=1)5.04;Stability: stable;Danger signs 14(Toxicproduct);mainuse to: used as solvent\Dye intermediate,And paint\Synthesis of drugs.

Names and Identifiers
  • Diethyl oxalate
  • DIETHYL ETHANEDIOATE
  • Ethanedioic acid diethyl ester
  • ETHYL OXALATE
  • OXALIC ACID DIETHYL ESTER
  • RARECHEM AL BI 0114
  • Diethyl ester of oxalic acid
  • Diethyl ester, oxalic acid
  • Diethylester kyseliny stavelove
  • dlethyloxalate
  • Oxalic ether
  • DIETHYL OXALATE, STANDARD FOR GC
  • DiethyloxalateForSynthesis
  • diethyl ethaneioate
  • Diethyl Oxalate [for Spectrophotometry]
  • diethyl dicarboxylate
  • diethyl ethane-1,2-dioate
  • DIETHYL OXALATE (2.5 LT PVC)
  • DIETHYL OXALATE FOR PHARMA SYNTHESIS
  • oxalic diethyl ester
  • Ethanedioic acid, diethyl ester (9CI)
  • Oxalic acid, diethyl ester (6CI, 8CI)
  • Diethyl ethanedioate
  • Ethyl oxalate
  • NSC 8851
  • Oxalic Acid Diethyl Ester
  • MDL:MFCD00009119
  • InChIKey:WYACBZDAHNBPPB-UHFFFAOYSA-N
  • Inchi:1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3
  • SMILES:O=C(C(OCC)=O)OCC
  • BRN:606350
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 146.05800
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Rotatable Bond Count: 5
  • Monoisotopic Mass: 146.057909
  • Heavy Atom Count: 10
  • Complexity: 114
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: nothing
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • LogP: 0.11260
  • PSA: 52.60000
  • Merck: 3125
  • Refractive Index: n20/D 1.410(lit.)
    n20/D 1.410
  • Water Partition Coefficient: May decompose OSE
  • Boiling Point: 185°C
  • Melting Point: -41°C(lit.)
  • Vapor Pressure: 1 mmHg ( 47 °C)
  • Flash Point: Fahrenheit: 167 ° f < br / > Celsius: 75 ° C < br / >
  • Solubility: Miscible with alcohols, ether and other common organic solvents.
  • Color/Form: Colorless oily liquid with aromatic smell. [14]
  • Stability/Shelf Life: Stable, but moisture sensitive. Incompatible with strong oxidizing agents.
  • Solubility: It is miscible in most organic solvents such as ethanol, ether, ethyl acetate, acetone, etc. [26]
  • Sensitiveness: Moisture Sensitive
  • Density: 1.076 g/mL at 25 °C(lit.)
Security Information
  • Symbol: GHS07
  • RTECS:RO2800000
  • WGK Germany:1
  • Safety Term:6.1
  • Safety Instruction:S23
  • Packing Group:III
  • Risk Phrases:R22; R36
  • Znak za nevarno blago: Xn Xn
  • Hazardous Material transportation number:UN 2525 6.1/PG 3
  • Hazard Statement:H302,H319
  • Warning Statement:P305+P351+P338
  • Prompt:warning
  • Storage Condition:Stable, sensitive to humidity, incompatible with strong oxidants
  • PackingGroup:III
  • Hazard Category Code:60-61-22-35-48/25-68/21
  • Signal Word:Warning
  • TSCA:Yes
  • Explosive Limit:0.42-2.67%(V)
  • HazardClass:6.1
Customs Data
  • HS CODE:2917119000
  • Customs Data:

    China Customs Code:

    2917119000

    Overview:

    2917119000 Other oxalates and esters.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917119000 oxalic acid salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Synthetic Circuit

Synthetic Circuit 1

Reaction Conditions
1.1 Reagents: Graphene (oxide) Solvents: Benzene ;  120 °C
Reference
Method for synthesis of diethyl oxalate under catalysis of modified graphene
, China, , ,

Synthetic Circuit 2

Reaction Conditions
1.1 Catalysts: Ferric sulfate Solvents: Benzene
Reference
Fe2(SO4)3·xH2O catalytic esterification of aliphatic carboxylic acids with alcohols
Zhang, Gui-Sheng, Synthetic Communications, 1998, 28(7), 1159-1162

Synthetic Circuit 3

Reaction Conditions
1.1 Catalysts: N-Methylimidazolium tetrafluoroborate Solvents: N-Methylimidazolium tetrafluoroborate ;  4 h, 110 °C
Reference
Esterification method in ion liquid [Hmim]+BF4-
, China, , ,

Synthetic Circuit 4

Reaction Conditions
1.1 Catalysts: Hexahydro-2-oxo-1H-azepine-1-propanesulfonic acid ;  6 h, 90 °C
Reference
Synthesis and catalytic esterification performance of caprolactam task-specific ionic liquids
Hu, Jingjing; Zhao, Dishun; Li, Jingjing; Zhai, Jianhua; Hu, Tiantian, Youji Huaxue, 2015, 35(8), 1773-1780

Synthetic Circuit 5

Reaction Conditions
1.1 Reagents: Phosphorus oxide (P4O10)
Reference
Reactions of cyclic anhydrides. Part IX. Facile esterification of carboxylic acids with organophosphorus reagents. Novel application of alkylphosphoric esters (APE)
Balasubramaniyan, V.; Bhatia, V. G.; Wagh, S. B., Tetrahedron, 1983, 39(9), 1475-85

Synthetic Circuit 6

Reaction Conditions
1.1 Reagents: Aluminum chloride ,  Potassium peroxymonosulfate sulfate (2KHSO5.KHSO4.K2SO4) Solvents: Water ;  10 min, rt
Reference
Oxone-Mediated Oxidative Cleavage of β-Keto Esters and 1,3-Diketones to α-Keto Esters and 1,2-Diketones in Aqueous Medium
Stergiou, Anastasios; Bariotaki, Anna; Kalaitzakis, Dimitris; Smonou, Ioulia, Journal of Organic Chemistry, 2013, 78(14), 7268-7273

Synthetic Circuit 7

Reaction Conditions
1.1 Catalysts: Divinylbenzene-styrene copolymer (sulfonated)
Reference
Catalyst for esterification of oxalic acid
, Czechoslovakia, , ,

Synthetic Circuit 8

Reaction Conditions
1.1 Catalysts: Aluminum chloride (polymer-supported) ,  Zinc chloride (polymer-supported) Solvents: Benzene
Reference
Study on the polymer protected catalyst PVC-aluminum chloride.zinc chloride used in the esterification between dicarboxylic acid and alcohol
Liu, Fuan; Li, Yaoxian; Zhang, Jingwen; Xu, Zhiluo; Huang, Huamin, Jilin Daxue Ziran Kexue Xuebao, 1991, (1), 120-2

Synthetic Circuit 9

Reaction Conditions
1.1 Reagents: Oxygen Catalysts: N,N,N′,N′-Tetramethylethylenediamine ,  Cuprous chloride ,  Octahydro-2,5-dimethylpentalene-2,5-imin-7-yloxy Solvents: (Trifluoromethyl)benzene ;  5 min, 23 °C
1.2 Solvents: (Trifluoromethyl)benzene ;  1 h, 23 °C
Reference
Cu/N-Oxyl-catalyzed aerobic oxidative esterification to oxalic acid diesters from ethylene glycol via highly selective intermolecular alcohol oxidation
Morino, Yusuke; Yatabe, Takafumi; Suzuki, Kosuke; Yamaguchi, Kazuya, Green Chemistry, 2022, 24(5), 2017-2026

Synthetic Circuit 10

Reaction Conditions
1.1 Solvents: Toluene ;  rt → 84 °C; 84 °C → 85 °C; 85 °C → 86 °C
Reference
Method for preparing diethyl oxalate using toluene as solvent
, China, , ,

Synthetic Circuit 11

Reaction Conditions
1.1 Solvents: Benzene ;  reflux
Reference
Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization
Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi, Organic & Biomolecular Chemistry, 2011, 9(8), 2702-2714

Synthetic Circuit 12

Reaction Conditions
1.1 Reagents: Hydrochloric acid Catalysts: Stannous chloride ;  rt → reflux; 3 h, reflux; reflux → rt
1.2 Solvents: Benzene ;  rt → reflux; reflux
Reference
Method for recovering oxalic acid from mother liquor residue of cyclization of triazine ring with tin chloride catalyst
, China, , ,

Synthetic Circuit 13

Reaction Conditions
1.1 Catalysts: Boron oxide (B2O3) ;  rt → 70 °C
Reference
Esterification reaction method and application to prepare wintergreen oil and diethyl oxalate
, China, , ,

Synthetic Circuit 14

Reaction Conditions
1.1 Catalysts: Sulfuric acid Solvents: Ethanol ;  1 h, reflux
Reference
New series of γ-pyrone based podands: synthesis, characterization and study of their application in acetate salts cation trapping for nucleophilic substitution reactions
Teimuri-Mofrad, Reza; Aghaiepour, Alireza; Rahimpour, Keshvar, ARKIVOC (Gainesville, 2019, (5), 121-132

Synthetic Circuit 15

Reaction Conditions
1.1 Reagents: Tetramethylammonium hydroxide ;  4 - 48 h, > 1.5 MPa, 0 - 60 °C
Reference
Technologic route for synthesizing oxalic acid and oxalate from carbon monoxide and carbon dioxide, and synthesis of ethylene glycol, methylal and ethylene glycol methyl ether
, China, , ,

Synthetic Circuit 16

Reaction Conditions
1.1 Catalysts: Zincate(3-), μ4-oxotris[μ-[2-[(4-sulfobutyl)amino]-1,4-benzenedicarboxylato(3-)-… ;  60 min, 110 °C
Reference
Esterification method using -SO3H-containing metal organic framework compound as catalyst
, China, , ,

Synthetic Circuit 17

Reaction Conditions
1.1 Reagents: Oxygen Catalysts: Tetrabutylammonium iodide ,  Palladium ;  8 h, 25 atm, 70 °C
Reference
Synthesis of Ethylene Glycol from Syngas via Oxidative Double Carbonylation of Ethanol to Diethyl Oxalate and Its Subsequent Hydrogenation
Satapathy, Anilkumar; Gadge, Sandip T.; Bhanage, Bhalchandra M., ACS Omega, 2018, 3(9), 11097-11103

Synthetic Circuit 18

Reaction Conditions
1.1 Catalysts: 1H-Benzimidazole, 1-butyl-2-methyl-, tetrafluoroborate(1-) (1:1) ;  4.0 h, 80 °C
Reference
Synthesis, characterization, and crystal structure of several novel acidic ionic liquids based on the corresponding 1-alkylbenzimidazole with tetrafluoroboric acid
Chen, Shuan-Hu; Yang, Fen-Rong; Wang, Ming-Tian; Wang, Na-ni, Comptes Rendus Chimie, 2010, 13(11), 1391-1396

Synthetic Circuit 19

Reaction Conditions
Reference
1,1'-Oxalyldiimidazole, a new reagent for activation of carboxylic acid
Murata, Shizuaki, Chemistry Letters, 1983, (12), 1819-20
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