N-[[4-[Bis(2-iodoethyl)amino]phenoxy]carbonyl]glutamic acid

Base Information

Chemical Name:N-[[4-[Bis(2-iodoethyl)amino]phenoxy]carbonyl]glutamic acid
CAS No.:156079-88-8
Molecular Formula:C16H20 I2 N2 O6
Molecular Weight:590.154
Hs Code.:
DSSTox Substance ID:DTXSID401179288
Nikkaji Number:J751.231G
ChEMBL ID:CHEMBL147758
Mol file:156079-88-8.mol

Synonyms:CHEMBL147758;SCHEMBL4161725;DTXSID401179288;LS-71788;N-[[4-[Bis(2-iodoethyl)amino]phenoxy]carbonyl]glutamic acid;4-[N,N-bis(2-iodoethyl)amino]-phenyl-oxycarbonyl-l-glutamic acid;N-[[4-[Bis(2-iodoethyl)amino]phenoxy]carbonyl]-L-glutamic acid;156079-88-8

Suppliers and Price of N-[[4-[Bis(2-iodoethyl)amino]phenoxy]carbonyl]glutamic acid

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

Total 1 raw suppliers

Chemical Property of N-[[4-[Bis(2-iodoethyl)amino]phenoxy]carbonyl]glutamic acid

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:589.94108
Heavy Atom Count:26
Complexity:466

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1N(CCI)CCI)OC(=O)NC(CCC(=O)O)C(=O)O
Isomeric SMILES:C1=CC(=CC=C1N(CCI)CCI)OC(=O)N[C@@H](CCC(=O)O)C(=O)O

Technology Process of N-[[4-[Bis(2-iodoethyl)amino]phenoxy]carbonyl]glutamic acid

There total 13 articles about N-[[4-[Bis(2-iodoethyl)amino]phenoxy]carbonyl]glutamic acid 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: 90.0%

: 156079-89-9
di-tert-butyl <<<4-phenyl>oxy>carbonyl>-L-glutamate

: 156079-88-8
N-{4-[N,N-bis(2-iodoethyl)amino]-phenoxycarbonyl}-L-glutamic Acid

Guidance literature:: With trifluoroacetic acid;
DOI:10.1016/j.tetlet.2005.08.003

Reference yield:

: 32677-01-3
L-glutamic acid di-tert-butyl ester hydrochloride

: 156079-88-8
N-{4-[N,N-bis(2-iodoethyl)amino]-phenoxycarbonyl}-L-glutamic Acid

Guidance literature:: Multi-step reaction with 6 steps

1: 82 percent / Et₃N / CHCl₃ / 5 h / Ambient temperature

2: 83 percent / ammonium formate / 10percent Pd/C / ethanol / 0.33 h / Ambient temperature

3: AcOH / 22 h / Ambient temperature

4: 28 percent / pyridine / 0.33 h / 2 °C

5: 68 percent / NaI / acetonitrile / 20 h / 70 °C

6: 82 percent / TFA / 0.5 h / Ambient temperature

With pyridine; ammonium formate; acetic acid; triethylamine; trifluoroacetic acid; sodium iodide; palladium on activated charcoal; In ethanol; chloroform; acetonitrile;
DOI:10.1021/jm00026a013

Reference yield:

: 156079-00-4
di-tert-butyl <<(4-nitrophenyl)oxy>carbonyl>-L-glutamate

: 156079-88-8
N-{4-[N,N-bis(2-iodoethyl)amino]-phenoxycarbonyl}-L-glutamic Acid

Guidance literature:: Multi-step reaction with 5 steps

1: 83 percent / ammonium formate / 10percent Pd/C / ethanol / 0.33 h / Ambient temperature

2: AcOH / 22 h / Ambient temperature

3: 28 percent / pyridine / 0.33 h / 2 °C

4: 68 percent / NaI / acetonitrile / 20 h / 70 °C

5: 82 percent / TFA / 0.5 h / Ambient temperature

With pyridine; ammonium formate; acetic acid; trifluoroacetic acid; sodium iodide; palladium on activated charcoal; In ethanol; acetonitrile;
DOI:10.1021/jm00026a013