Diisopropyl (cyanomethyl)phosphonate

Base Information Edit

Chemical Name:Diisopropyl (cyanomethyl)phosphonate
CAS No.:21658-95-7
Molecular Formula:C8H16 N O3 P
Molecular Weight:205.194
Hs Code.:2931900090
European Community (EC) Number:244-511-9,633-451-2
UNII:XK5YRB8PTC
DSSTox Substance ID:DTXSID50176042
Nikkaji Number:J225.406I
Wikidata:Q83046378
Mol file:21658-95-7.mol

Synonyms:21658-95-7;Diisopropyl (cyanomethyl)phosphonate;DIISOPROPYL CYANOMETHYLPHOSPHONATE;2-di(propan-2-yloxy)phosphorylacetonitrile;XK5YRB8PTC;bis(propan-2-yl) (cyanomethyl)phosphonate;Cyanomethylphosphonic acid diisopropyl ester;58264-04-3;UNII-XK5YRB8PTC;SCHEMBL3776800;Diisopropoxyphosphinylacetonitrile;DTXSID50176042;2-Diisopropoxyphosphorylacetonitrile;WAA65895;EINECS 244-511-9;MFCD00009812;AKOS015916209;AS-62970;CS-0361274;FT-0624137;Bis(1-methylethyl) P-(cyanomethyl)phosphonate;J-014213;Phosphonic acid, P-(cyanomethyl)-, bis(1-methylethyl) ester

Suppliers and Price of Diisopropyl (cyanomethyl)phosphonate

Supply Marketing:Edit

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
DiisopropylCyanomethylphosphonate
5g
$ 275.00

American Custom Chemicals Corporation
DIISOPROPYL(CYANOMETHYL)PHOSPHONATE 95.00%
5G
$ 184.59

Alfa Aesar
Diisopropyl cyanomethylphosphonate, 97%
25g
$ 269.00

Alfa Aesar
Diisopropyl cyanomethylphosphonate, 97%
5g
$ 68.70

AK Scientific
Diisopropyl(cyanomethyl)phosphonate
25g
$ 556.00

Total 16 raw suppliers

Chemical Property of Diisopropyl (cyanomethyl)phosphonate Edit

Chemical Property:

Vapor Pressure:4.15E-05mmHg at 25°C
Refractive Index:n20/D 1.428(lit.)
Boiling Point:351.3°Cat760mmHg
Flash Point:128.9°C
PSA：69.13000
Density:1.07g/cm³
LogP:2.55308
Sensitive.:Moisture Sensitive
XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:205.08678037
Heavy Atom Count:13
Complexity:227

Purity/Quality:

99%, ^*data from raw suppliers

DiisopropylCyanomethylphosphonate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 23/24/25-34
Safety Statements: 23-26-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Toxic Gases & Vapors -> Other Toxic Gases & Vapors
Canonical SMILES:CC(C)OP(=O)(CC#N)OC(C)C
Uses Diisopropyl Cyanomethylphosphonate is a chemical reagent used in the synthesis of elfamycin intermediates.

Technology Process of Diisopropyl (cyanomethyl)phosphonate

There total 6 articles about Diisopropyl (cyanomethyl)phosphonate 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: 78.0%

: 116-17-6
triisopropyl phosphite

: 107-14-2
chloroacetonitrile

: 21658-95-7
diisopropyl (cyanomethyl)phosphonate

Guidance literature:: at 160 ℃; for 24h;

Reference yield:

: 35717-98-7
bis(2-propyl)-p-toluenesulfonyloxymethylphosphonate

: 143-33-9,25596-52-5
sodium cyanide

: 21658-95-7
diisopropyl (cyanomethyl)phosphonate

: 99709-52-1
diisopropyl (iodomethyl)phosphonate

Guidance literature:: With sodium iodide; In N,N-dimethyl-formamide; at 110 ℃; for 24h; Yield given;

Reference yield:

: 1809-20-7
diisopropyl hydrogenphosphonate

: 21658-95-7
diisopropyl (cyanomethyl)phosphonate

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / 1,8-diazabicyclo<5.4.0>undec-7-ene / 0.67 h

2: 94 percent / triethylamine / CH₂Cl₂ / a) 10 deg C, 1 h, b) room temperature, 3 h

3: NaI / dimethylformamide / 24 h / 110 °C

With 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; sodium iodide; In dichloromethane; N,N-dimethyl-formamide;