N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine

Base Information

Chemical Name:N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine
CAS No.:171178-22-6
Molecular Formula:C13H8BrFN4
Molecular Weight:319.136
Hs Code.:
DSSTox Substance ID:DTXSID50416152
Wikidata:Q82225328
ChEMBL ID:CHEMBL54788
Mol file:171178-22-6.mol

Synonyms:N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine;171178-22-6;CHEMBL54788;4-(3-Bromoanilino)-6-fluoropyrido(3,2-d]pyrimidine;4-(3-Bromoanilino)-6-fluoropyrido[3,2-d)pyrimidine;4-(3-Bromoanilino)-6-fluoropyrido[3,2-d]pyrimidine;Pyrido[3,2-d]pyrimidine 11e;BDBM3619;SCHEMBL6837207;IEMOICPYMPGBAD-UHFFFAOYSA-;DTXSID50416152;IEMOICPYMPGBAD-UHFFFAOYSA-N;4-(3-bromoanilino)-6-fluoropyrido[3,2-d) pyrimidine;4-(3-bromoanilino)-6-fluoropyrido [3,2-d) pyrimidine;4-[(3-bromophenyl)-amino]-6-fluoropyrido[3,2-d]pyrimidine;InChI=1/C13H8BrFN4/c14-8-2-1-3-9(6-8)18-13-12-10(16-7-17-13)4-5-11(15)19-12/h1-7H,(H,16,17,18)

Suppliers and Price of N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine

Chemical Property:

PSA：50.70000
LogP:3.74300
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:317.99164
Heavy Atom Count:19
Complexity:306

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2N=C(C=C3)F

Technology Process of N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine

There total 7 articles about N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine 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: 52.0%

: 591-19-5
m-Bromoaniline

: 175358-04-0
4-chloro-6-fluoropyrido<3,2-d>pyrimidine

: 171178-22-6
4-(3-Bromoanilino)-6-fluoropyrido[3,2-d]pyrimidine

Guidance literature:: With hydrogenchloride; In isopropyl alcohol; for 0.25h; Heating;
DOI:10.1021/jm9508651

Reference yield:

: 93683-65-9
6-chloro-3-nitropicolinonitrile

: 171178-22-6
4-(3-Bromoanilino)-6-fluoropyrido[3,2-d]pyrimidine

Guidance literature:: Multi-step reaction with 6 steps

1: 79 percent / KF / acetonitrile / 18 h / Heating

2: 61 percent / 90percent H₂SO₄ / 1.5 h / 70 °C

3: H₂ / 5percent Pd/C / ethyl acetate / 2 h / 3102.9 Torr

4: 84 percent / 18 h / Heating

5: POCl₃ / 3 h / Heating

6: 52 percent / aq. HCl / propan-2-ol / 0.25 h / Heating

With hydrogenchloride; potassium fluoride; sulfuric acid; hydrogen; trichlorophosphate; palladium on activated charcoal; In ethyl acetate; isopropyl alcohol; acetonitrile;
DOI:10.1021/jm9508651

Reference yield:

: 171178-30-6
2-cyano-6-fluoro-3-nitropyridine

: 171178-22-6
4-(3-Bromoanilino)-6-fluoropyrido[3,2-d]pyrimidine

Guidance literature:: Multi-step reaction with 5 steps

1: 61 percent / 90percent H₂SO₄ / 1.5 h / 70 °C

2: H₂ / 5percent Pd/C / ethyl acetate / 2 h / 3102.9 Torr

3: 84 percent / 18 h / Heating

4: POCl₃ / 3 h / Heating

5: 52 percent / aq. HCl / propan-2-ol / 0.25 h / Heating

With hydrogenchloride; sulfuric acid; hydrogen; trichlorophosphate; palladium on activated charcoal; In ethyl acetate; isopropyl alcohol;
DOI:10.1021/jm9508651