4-[(Diethoxyphosphoryl)-methyl]benzoyl chloride

Base Information

• Chemical Name: 4-[(Diethoxyphosphoryl)-methyl]benzoyl chloride
• CAS No.: 118578-91-9
• Molecular Formula: C12H16ClO4P
• Molecular Weight: 290.683
• DSSTox Substance ID: DTXSID80440107
• Wikidata: Q82256309
• Mol file: 118578-91-9.mol

Synonyms:118578-91-9;4-[(diethoxyphosphoryl)-methyl]benzoyl chloride;SCHEMBL6029830;DTXSID80440107;HQXNAOPPIPWBRE-UHFFFAOYSA-N;4-diethoxyphosphorylmethylbenzoyl chloride;4-diethoxyphosphinoylmethylbenzoyl chloride;4[(diethoxyphosphoryl)methyl]benzoyl chloride;4-[(diethoxyphosphoryl)methyl]benzoyl chloride;Diethyl {[4-(chlorocarbonyl)phenyl]methyl}phosphonate

Chemical Property of 4-[(Diethoxyphosphoryl)-methyl]benzoyl chloride

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 290.0474737
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC1=CC=C(C=C1)C(=O)Cl)OCC

Technology Process of 4-[(Diethoxyphosphoryl)-methyl]benzoyl chloride

There total 2 articles about 4-[(Diethoxyphosphoryl)-methyl]benzoyl chloride 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-[(diethoxyphosphinyl)methyl]benzoic acid (28149-48-6) → 4-[(diethoxyphosphoryl)-methyl]benzoyl chloride (118578-91-9)

Guidance literature:

With thionyl chloride; In cyclohexane; for 4h; Heating;

DOI:10.1016/0223-5234(96)88233-X

Reference yield:

4-bromomethylbenzoic Acid (6232-88-8) → 4-[(diethoxyphosphoryl)-methyl]benzoyl chloride (118578-91-9)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 111 °C

2: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 3 h / 20 °C

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm300037x

Reference yield: 70.0%

4,5-Diamino-1,3-dimethyluracil (5440-00-6) + 4-[(diethoxyphosphoryl)-methyl]benzoyl chloride (118578-91-9) → [4-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylcarbamoyl)-benzyl]-phosphonic acid diethyl ester (166115-75-9)

Guidance literature:

With pyridine; In N,N-dimethyl-formamide; for 12h; Ambient temperature;

DOI:10.1016/0223-5234(96)88233-X

upstream raw materials:

4-[(diethoxyphosphinyl)methyl]benzoic acid

4-bromomethylbenzoic Acid

Downstream raw materials:

[4-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylcarbamoyl)-benzyl]-phosphonic acid diethyl ester

ibrolipim

diethyl 4-[N-(2-cyanophenyl)carbamoyl]benzyl-phosphonate

Acetic acid 3-cyano-4-[4-(diethoxy-phosphorylmethyl)-benzoylamino]-phenyl ester

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 118578-91-9 Phosphonic acid, [[4-(chlorocarbonyl)phenyl]methyl]-, diethyl ester

Send

Send

Metric Ton KG G Pound L ML

Send

Send