1,2-Bis(dimethoxyphosphoryl)benzene

Base Information

• Chemical Name: 1,2-Bis(dimethoxyphosphoryl)benzene
• CAS No.: 15104-46-8
• Molecular Formula: C10H16 O6 P2
• Molecular Weight: 294.178
• Hs Code.: 29199000
• DSSTox Substance ID: DTXSID70369772
• Nikkaji Number: J2.668.605I
• Wikidata: Q82157083
• ChEMBL ID: CHEMBL262339
• Mol file: 15104-46-8.mol

Synonyms:15104-46-8;1,2-bis(dimethoxyphosphoryl)benzene;Tetramethyl 1,2-phenylenebis(phosphonate);Tetramethyl-1,2-phenylenediphosphonate;Tetramethyl 1,2-phenylenediphosphonate;Phosphonic acid, P,P'-1,2-phenylenebis-, P,P,P',P'-tetramethyl ester;MFCD00142461;bis(dimethoxyphosphoryl)benzene;CHEMBL262339;SCHEMBL4292841;DTXSID70369772;1,2-Bis(dimethoxyphosphinyl)benzene;AKOS002272621;Tetramethyl1,2-phenylenebis(phosphonate);AS-72452;CS-0108199;FT-0738207;Tetramethyl-1,2-phenylenediphosphonate, 97%;dimethyl [2-(dimethoxyphosphoryl)phenyl]phosphonate;J-008773;Phosphonic acid,p,p'-1,2-phenylenebis-,p,p,p',p'-tetramethyl ester

Chemical Property of 1,2-Bis(dimethoxyphosphoryl)benzene

Chemical Property:

• Appearance/Colour: SLIGHTLY YELLOW CRYSTALLINE POWDER
• Vapor Pressure: 1.91E-05mmHg at 25°C
• Melting Point: 79-84 °C
• Boiling Point: 373.6 °C at 760 mmHg
• Flash Point: 193.3 °C
• PSA: 90.68000
• Density: 1.26 g/cm³
• LogP: 1.90900
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 294.04221222
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

Tetramethyl-1,2-phenylenediphosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22-36/37/38:
• Hazard Codes: R20/21/22-36/37/38:
• Statements: 20/21/22-36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COP(=O)(C1=CC=CC=C1P(=O)(OC)OC)OC
• Uses: Tetramethyl-1,2-phenylenediphosphonate is a useful reagent for the synthesis of 1,2-bis(phosphino)benzene and related alkylated species.

Technology Process of 1,2-Bis(dimethoxyphosphoryl)benzene

There total 4 articles about 1,2-Bis(dimethoxyphosphoryl)benzene 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: 63.0%

2-bromo-1-chlorobenzene (694-80-4) + phosphorous acid trimethyl ester (121-45-9) → 1,2-bis(dimethoxyphosphoryl)benzene (15104-46-8)

Guidance literature:

In 1,4-dioxane; at 20 ℃; UV-irradiation;

DOI:10.1039/d2ra00094f

Reference yield:

1,2-dichloro-benzene (95-50-1) + phosphorous acid trimethyl ester (121-45-9) → 1,2-bis(dimethoxyphosphoryl)benzene (15104-46-8)

Guidance literature:

at 60 ℃; Irradiation;

DOI:10.1039/DT9950003925

Reference yield:

Acetylenbis(phosphonsaeure-dimethylester) (19519-58-5) + cyclohexa-1,3-diene (1165952-91-9) → 1,2-bis(dimethoxyphosphoryl)benzene (15104-46-8)

Guidance literature:

DOI:10.1021/jo01257a070

upstream raw materials:

Acetylenbis(phosphonsaeure-dimethylester)

cyclohexa-1,3-diene

1,2-dichloro-benzene

phosphorous acid trimethyl ester

Downstream raw materials:

1,2-phenylenediphosphonic acid

1,2-Bisbenzol

1,2-bis(phosphino)benzene

Refernces

• 1、 Hitchcock, Peter B.,Lappert, Michael F.,Leung, Wing-Por,Yin, Ping. "Synthesis and Structures of Dilithium (1,2-Diphosphido)benzenes". . p. 3925 - 3932. Retrieved 2007/10/02.