2-[[4-[(2,4-Diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

Base Information

Chemical Name:2-[[4-[(2,4-Diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
CAS No.:20242-62-0
Molecular Formula:C21H21ClN6O5
Molecular Weight:472.8816
Hs Code.:
NSC Number:122761
DSSTox Substance ID:DTXSID50298374
Pharos Ligand ID:AFCD9TS5BBUF
ChEMBL ID:CHEMBL37061

Synonyms:CHEMBL37061;20242-62-0;NSC122761;2-[[4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;DTXSID50298374;BDBM50405650;NSC-122761

Suppliers and Price of 2-[[4-[(2,4-Diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 2-[[4-[(2,4-Diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

Chemical Property:

Density:1.562g/cm³
XLogP3:1.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:472.1261955
Heavy Atom Count:33
Complexity:707

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl

Technology Process of 2-[[4-[(2,4-Diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

There total 6 articles about 2-[[4-[(2,4-Diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic 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: 66.0%

: 108948-00-1
(S)-2-{4-[(2,4-Diamino-5-chloro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid di-tert-butyl ester

: 20242-62-0
5-chloro-5,8-dideazaaminopterin

Guidance literature:: With trifluoroacetic acid; for 1h; Ambient temperature;
DOI:10.1021/jm00391a042

Reference yield:

: 18144-47-3
tert-butyl 4-aminobenzoate

: 20242-62-0
5-chloro-5,8-dideazaaminopterin

Guidance literature:: Multi-step reaction with 4 steps

1: 45.7 percent / H₂ / Raney Ni / aq. acetic acid / Ambient temperature

2: 93 percent / CF₃COOH / CHCl₃ / 3 h / Ambient temperature

3: 1.) diethyl phosphorocyanidate, Et₃N / 1.) DMF, 65 deg C, 30 min, 2.) DMF, 65 deg C, 18 h

4: 66 percent / CF₃COOH / 1 h / Ambient temperature

With diethyl cyanophosphonate; hydrogen; triethylamine; trifluoroacetic acid; nickel; In chloroform; acetic acid;
DOI:10.1021/jm00391a042

Reference yield:

: 18917-75-4
2,4-diamino-5-chloroquinazoline-6-carbonitrile

: 20242-62-0
5-chloro-5,8-dideazaaminopterin

Guidance literature:: Multi-step reaction with 4 steps

1: 45.7 percent / H₂ / Raney Ni / aq. acetic acid / Ambient temperature

2: 93 percent / CF₃COOH / CHCl₃ / 3 h / Ambient temperature

3: 1.) diethyl phosphorocyanidate, Et₃N / 1.) DMF, 65 deg C, 30 min, 2.) DMF, 65 deg C, 18 h

4: 66 percent / CF₃COOH / 1 h / Ambient temperature

With diethyl cyanophosphonate; hydrogen; triethylamine; trifluoroacetic acid; nickel; In chloroform; acetic acid;
DOI:10.1021/jm00391a042