2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate

Base Information

Chemical Name:2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate
CAS No.:108217-08-9
Molecular Formula:C8H14 Br Cl3 N O5 P
Molecular Weight:421.44
Hs Code.:2931900090
DSSTox Substance ID:DTXSID70378682
Nikkaji Number:J2.062.308J
Mol file:108217-08-9.mol

Synonyms:108217-08-9;Diethyl(TROC-amino)bromomethylphosphonate;2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate;DTXSID70378682;IUJFSIXZTNNRGB-UHFFFAOYSA-N;MFCD04038929;AKOS017343397;Diethyl (bromo{[(2,2,2-trichloroethoxy)carbonyl]amino}methyl)phosphonate;[[(2,2,2-Trichloroethoxycarbonyl)amino]bromomethyl]phosphonic acid diethyl ester

Suppliers and Price of 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate

Supply Marketing:

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

American Custom Chemicals Corporation
DIETHYL(TROC-AMINO)BROMOMETHYLPHOSPHONATE 95.00%
5G
$ 1477.13

Total 6 raw suppliers

Chemical Property of 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate

Chemical Property:

Vapor Pressure:3.16E-07mmHg at 25°C
Melting Point:86 °C
Refractive Index:1.51
Boiling Point:418.9°C at 760 mmHg
PKA:8.14±0.46(Predicted)
Flash Point:207.2°C
PSA：83.67000
Density:1.636g/cm³
LogP:4.41830
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:418.88586
Heavy Atom Count:19
Complexity:331

Purity/Quality:

97% ^*data from raw suppliers

DIETHYL(TROC-AMINO)BROMOMETHYLPHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOP(=O)(C(NC(=O)OCC(Cl)(Cl)Cl)Br)OCC

Technology Process of 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate

There total 1 articles about 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate 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%

: 108183-45-5
[(2,2,2-Trichloro-ethoxycarbonylamino)-methyl]-phosphonic acid diethyl ester

: 108217-08-9
[bromo-(2,2,2-trichloroethoxycarbonylamino)methyl]phosphonic acid diethyl ester

Guidance literature:: With N-Bromosuccinimide; In tetrachloromethane; at 13 ℃; for 1h; Irradiation;
DOI:10.1055/s-1986-31638

Reference yield:

: 108217-08-9
[bromo-(2,2,2-trichloroethoxycarbonylamino)methyl]phosphonic acid diethyl ester

: (1S)-[3-oxo-3-p-tolyl-1-(2,2,2-trichloroethoxycarbonylamino)propyl]phosphonic acid diethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: piperidinomethylpolystyrene; 4A molecular sieves / CH₂Cl₂ / 0.33 h / 20 °C

2: hexafluoroisopropyl alcohol; (R,R)-N,N'-(1-naphthylmethyl)-1,2-diphenylethane-1,2-diamine; 3A molecular sieves / Cu(OTf)2 / CH₂Cl₂ / 9 h

With (1R,2R)-N,N’-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine; piperidinomethylpolystyrene; 1,1,1,3',3',3'-hexafluoro-propanol; 3 A molecular sieve; 4 A molecular sieve; copper(II) bis(trifluoromethanesulfonate); In dichloromethane;
DOI:10.1021/ja048791i

Reference yield:

: 108217-08-9
[bromo-(2,2,2-trichloroethoxycarbonylamino)methyl]phosphonic acid diethyl ester

: (1R)-[3-oxo-3-p-tolyl-1-(2,2,2-trichloroethoxycarbonylamino)propyl]phosphonic acid diethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: piperidinomethylpolystyrene; 4A molecular sieves / CH₂Cl₂ / 0.33 h / 20 °C

2: hexafluoroisopropyl alcohol; (R,R)-N,N'-(1-naphthylmethyl)-1,2-diphenylethane-1,2-diamine; 3A molecular sieves / Cu(OTf)2 / CH₂Cl₂ / 9 h

With (1R,2R)-N,N’-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine; piperidinomethylpolystyrene; 1,1,1,3',3',3'-hexafluoro-propanol; 3 A molecular sieve; 4 A molecular sieve; copper(II) bis(trifluoromethanesulfonate); In dichloromethane;
DOI:10.1021/ja048791i