2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-(2-bromoethyl)-3-(2-chloroethyl)-, 2-oxide, (R)-

Base Information

Chemical Name:2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-(2-bromoethyl)-3-(2-chloroethyl)-, 2-oxide, (R)-
CAS No.:104149-16-8
Molecular Formula:C₇H₁₅BrClN₂O₂P
Molecular Weight:305.539
Hs Code.:
ChEMBL ID:CHEMBL2114140
Mol file:104149-16-8.mol

Synonyms:KM 253;BRN 6768454;104149-16-8;2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-(2-bromoethyl)-3-(2-chloroethyl)-, 2-oxide, (R)-;CHEMBL2114140;SCHEMBL10783155

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

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Chemical Property of 2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-(2-bromoethyl)-3-(2-chloroethyl)-, 2-oxide, (R)-

Chemical Property:

PSA：51.38000
LogP:2.36890
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:303.97430
Heavy Atom Count:14
Complexity:220

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(P(=O)(OC1)NCCBr)CCCl
Isomeric SMILES:C1CN([P@@](=O)(OC1)NCCBr)CCCl

Technology Process of 2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-(2-bromoethyl)-3-(2-chloroethyl)-, 2-oxide, (R)-

There total 3 articles about 2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-N-(2-bromoethyl)-3-(2-chloroethyl)-, 2-oxide, (R)- 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: 81.0%

: 72578-73-5
(R)-(+)-2-aziridino-3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin 2-oxide

: 104149-16-8,146452-36-0
(R)-(+)-N-(2-bromoethyl)-3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide

Guidance literature:: With hydrogen bromide; In chloroform; for 0.25h; Ambient temperature;
DOI:10.1021/jm00396a036

Reference yield:

: 72578-74-6
(S)-(-)-2-aziridino-3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin 2-oxide

: 104149-16-8,146452-36-0
(R)-(+)-N-(2-bromoethyl)-3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide

Guidance literature:: With hydrogen bromide; In chloroform;

Reference yield:

: 84711-20-6
(+)-ifosfamide

: 104149-16-8,146452-36-0
(R)-(+)-N-(2-bromoethyl)-3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide

Guidance literature:: Multi-step reaction with 2 steps

1: NaH / tetrahydrofuran

2: 81 percent / aq. HBr / CHCl₃ / 0.25 h / Ambient temperature

With hydrogen bromide; sodium hydride; In tetrahydrofuran; chloroform;
DOI:10.1021/jm00396a036