Tetramethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bisphosphonate

Base Information

• Chemical Name: Tetramethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bisphosphonate
• CAS No.: 27344-43-0
• Molecular Formula: C18H24 O6 P2
• Molecular Weight: 398.332
• Hs Code.: 2916399090
• European Community (EC) Number: 248-422-6
• DSSTox Substance ID: DTXSID00950056
• Nikkaji Number: J250.498G
• Wikidata: Q2816660
• Mol file: 27344-43-0.mol

Synonyms:27344-43-0;EINECS 248-422-6;Tetramethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bisphosphonate;4,4'-Bis(dimethoxyphosphinylmethyl)biphenyl;SCHEMBL7043203;DTXSID00950056;AKOS015961077;AC-12937;NS00050338;4,4'-Bis-(dimethoxy phosphonomethyl)biphenyl;Q2816660;4-DIMETHYLAMINOBENZOICACID2-N-BUTOXYETHYLESTER;tetramethyl biphenyl-4,4'-diylbis(methylene)diphosphonate;Tetramethyl [[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis(phosphonate)

Chemical Property of Tetramethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bisphosphonate

Chemical Property:

• Melting Point: 130-131 °C
• Boiling Point: 538.4°Cat760mmHg
• Flash Point: 292.4°C
• PSA: 90.68000
• Density: 1.217g/cm³
• LogP: 5.32540
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 398.10481248
• Heavy Atom Count: 26
• Complexity: 448

Purity/Quality:

98%min ^*data from raw suppliers

4,4'-BIS-(DIMETHOXY PHOSPHONOMETHYL) BIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(CC1=CC=C(C=C1)C2=CC=C(C=C2)CP(=O)(OC)OC)OC

Technology Process of Tetramethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bisphosphonate

There total 3 articles about Tetramethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bisphosphonate 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: 95.0%

4,4'-bis(chloromethyl)biphenyl (1667-10-3) + phosphorous acid trimethyl ester (121-45-9) → 4,4'-bis(dimethylphosphorylmethyl)biphenyl (27344-43-0)

Guidance literature:

at 160 ℃; for 0.5h; Microwave irradiation; High pressure;

DOI:10.1002/zaac.201700424

Reference yield: 47.0%

4-4'-bis(bromomethyl)biphenyl (20248-86-6) + phosphorous acid trimethyl ester (121-45-9) → 4,4'-bis(dimethylphosphorylmethyl)biphenyl (27344-43-0)

Guidance literature:

Heating;

DOI:10.1016/S0040-4020(97)10395-7

Reference yield:

→ 4,4'-bis(dimethylphosphorylmethyl)biphenyl (27344-43-0)

Guidance literature:

upstream raw materials:

4-4'-bis(bromomethyl)biphenyl

phosphorous acid trimethyl ester

4,4'-bis(chloromethyl)biphenyl

Downstream raw materials:

[Cd(4,4'-bis(dimethylphosphonomethyl)biphenyl)2(NO₃)2]

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