Methyl 4-{[(diethoxyphosphoryl)oxy]methyl}benzoate

Base Information

Chemical Name:Methyl 4-{[(diethoxyphosphoryl)oxy]methyl}benzoate
CAS No.:166977-94-2
Molecular Formula:C13H19O6P
Molecular Weight:302.264
Hs Code.:
DSSTox Substance ID:DTXSID90707096
Nikkaji Number:J2.370.288F
Wikidata:Q82640754
Mol file:166977-94-2.mol

Synonyms:166977-94-2;Methyl 4-{[(diethoxyphosphoryl)oxy]methyl}benzoate;SCHEMBL4248709;DTXSID90707096;4-(Diethoxyphosphinyloxymethyl)benzoic acid methyl ester

Suppliers and Price of Methyl 4-{[(diethoxyphosphoryl)oxy]methyl}benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 4-{[(diethoxyphosphoryl)oxy]methyl}benzoate

Chemical Property:

PSA：80.87000
LogP:3.17090
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:302.09192532
Heavy Atom Count:20
Complexity:328

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOP(=O)(OCC)OCC1=CC=C(C=C1)C(=O)OC

Technology Process of Methyl 4-{[(diethoxyphosphoryl)oxy]methyl}benzoate

There total 2 articles about Methyl 4-{[(diethoxyphosphoryl)oxy]methyl}benzoate 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: 79.0%

: 6908-41-4,58590-49-1
4-(methoxycarbonyl)benzyl alcohol

: 814-49-3
diethyl chlorophosphate

: 166977-94-2
methyl 4-((diethoxyphosphoryloxy)methyl)benzoate

Guidance literature:: With dmap; triethylamine; In tetrahydrofuran; at 20 ℃; for 8h;
DOI:10.1021/ol0616790

Reference yield: 63.0%

: 762-04-9
phosphonic acid diethyl ester

: 1571-08-0
methyl 4-formylbenzoate

: 166977-94-2
methyl 4-((diethoxyphosphoryloxy)methyl)benzoate

Guidance literature:: With caesium carbonate; In ethyl acetate; at 80 ℃; for 10h; Sealed tube; Inert atmosphere;
DOI:10.1002/anie.202111957

Reference yield: 92.0%

: 166977-94-2
methyl 4-((diethoxyphosphoryloxy)methyl)benzoate

: 136024-61-8
(4R)-benzyloxy-(2S)-formylpyrrolidine-1-carboxylic acid tert-butyl ester

: 942310-03-4
trans-4-[2-[(4R)-benzyloxy-1-(tert-butoxycarbonyl)-(2S)-pyrrolidinyl]-1-ethenyl]benzoic acid methyl ester

Guidance literature:: methyl 4-((diethoxyphosphoryloxy)methyl)benzoate; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 1h;

(4R)-benzyloxy-(2S)-formylpyrrolidine-1-carboxylic acid tert-butyl ester; In tetrahydrofuran; at -78 - 0 ℃; for 2h;