Acetic acid, dibromo(diethoxyphosphinyl)-, ethyl ester

Base Information

• Chemical Name: Acetic acid, dibromo(diethoxyphosphinyl)-, ethyl ester
• CAS No.: 28845-75-2
• Molecular Formula: C₈H₁₅Br₂O₅P
• Molecular Weight: 381.986
• European Community (EC) Number: 694-342-3
• DSSTox Substance ID: DTXSID10546969
• Wikidata: Q82424947
• Mol file: 28845-75-2.mol

Synonyms:28845-75-2;Triethyldibromophosphonoacetate;ethyl 2,2-dibromo-2-diethoxyphosphoryl-acetate;Acetic acid, dibromo(diethoxyphosphinyl)-, ethyl ester;ethyl 2,2-dibromo-2-diethoxyphosphorylacetate;SCHEMBL9770315;DTXSID10546969;Triethyl 2,2-dibromophosphonoacetate;MFCD00233588;AKOS017343313;Ethyl dibromo(diethoxyphosphoryl)acetate;ethyl 2, 2-dibromo-2-diethoxyphosphorylacetate;Ethyl 2,2-dibromodiethylphosphonoacetate, 97%;2,2-Dibromo-2-(diethoxyphosphinyl)acetic acid ethyl ester

Chemical Property of Acetic acid, dibromo(diethoxyphosphinyl)-, ethyl ester

Chemical Property:

• Refractive Index: n20/D1.493
• Flash Point: >110℃
• PSA: 71.64000
• Density: 1.636 at 25 °C
• LogP: 3.25920
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 381.90034
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2,2-dibromodiethylphosphonoacetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(P(=O)(OCC)OCC)(Br)Br
• Uses: Ethyl 2,2-Dibromodiethylphosphonoacetate acts as a reagent in the synthesis of dialkylphosphonodibromoacetates and dialkylphosphonodibromoacetonitriles as potential new biocides. Coupling partner in Suzuki-Miyuara C-C bond formations

Technology Process of Acetic acid, dibromo(diethoxyphosphinyl)-, ethyl ester

There total 2 articles about Acetic acid, dibromo(diethoxyphosphinyl)-, ethyl ester 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: 93.0%

diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) → triethyl 2,2-dibromophosphonoacetate (28845-75-2)

Guidance literature:

With sodium hypobromide;

DOI:10.1021/jo00376a092

Reference yield:

diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) → triethyl 2,2-dibromophosphonoacetate (28845-75-2) + triethyl bromophosphonoacetate (23755-73-9)

Guidance literature:

With bromine; sodium hydroxide; Inert atmosphere;

DOI:10.1002/ejoc.201301207

Reference yield: 85.0%

triethyl 2,2-dibromophosphonoacetate (28845-75-2) → triethyl bromophosphonoacetate (23755-73-9)

Guidance literature:

With tin(ll) chloride; In ethanol; water; for 0.0833333h; Ambient temperature;

DOI:10.1021/jo00376a092

upstream raw materials:

diethoxyphosphoryl-acetic acid ethyl ester

Downstream raw materials:

triethyl bromophosphonoacetate

ethyl 2-bromo-3-(4-methoxyphenyl)-2(E)-propenoate

ethyl 2-bromo-3-(4-methoxyphenyl)-2(Z)-propenoate