5-{[4-(Hexyloxy)phenyl]methyl}pyrimidine-2,4-diamine

Base Information

Chemical Name:5-{[4-(Hexyloxy)phenyl]methyl}pyrimidine-2,4-diamine
CAS No.:80407-61-0
Molecular Formula:C₁₇H₂₄N₄O
Molecular Weight:300.404
Hs Code.:
ChEMBL ID:CHEMBL31912
DSSTox Substance ID:DTXSID90566741
Nikkaji Number:J360.499C
Wikidata:Q82452495

Synonyms:CHEMBL31912;80407-61-0;DTXSID90566741;5-{[4-(HEXYLOXY)PHENYL]METHYL}PYRIMIDINE-2,4-DIAMINE;BDBM50405959

Suppliers and Price of 5-{[4-(Hexyloxy)phenyl]methyl}pyrimidine-2,4-diamine

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 5-{[4-(Hexyloxy)phenyl]methyl}pyrimidine-2,4-diamine

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:300.19501140
Heavy Atom Count:22
Complexity:294

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCOC1=CC=C(C=C1)CC2=CN=C(N=C2N)N

Technology Process of 5-{[4-(Hexyloxy)phenyl]methyl}pyrimidine-2,4-diamine

There total 4 articles about 5-{[4-(Hexyloxy)phenyl]methyl}pyrimidine-2,4-diamine 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: 51.0%

: 50-01-1
guanidine hydrochloride

: 650606-13-6
(E)-3-(4-hexyloxyphenyl)-2-(ethoxymethyl)-2-propenenitrile

: 80407-61-0
5-(4-Hexyloxy-benzyl)-pyrimidine-2,4-diamine

Guidance literature:: guanidine hydrochloride; With sodium ethanolate; In ethanol; for 0.0833333h;

(E)-3-(4-hexyloxyphenyl)-2-(ethoxymethyl)-2-propenenitrile; In ethanol; for 24h; Heating;
DOI:10.1016/j.bmc.2003.08.012

Reference yield:

: 5736-94-7
4-(hexyloxy)benzaldehyde

: 80407-61-0
5-(4-Hexyloxy-benzyl)-pyrimidine-2,4-diamine

Guidance literature:: Multi-step reaction with 2 steps

1.1: 85 percent / NaOEt / ethanol / 24 h / Heating

2.1: NaOEt / ethanol / 0.08 h

2.2: 51 percent / ethanol / 24 h / Heating

With sodium ethanolate; In ethanol;
DOI:10.1016/j.bmc.2003.08.012

Reference yield:

: 123-08-0,65581-83-1
4-hydroxy-benzaldehyde

: 80407-61-0
5-(4-Hexyloxy-benzyl)-pyrimidine-2,4-diamine

Guidance literature:: Multi-step reaction with 3 steps

1.1: 81 percent / K₂CO₃ / butan-2-one / 24 h / Heating

2.1: 85 percent / NaOEt / ethanol / 24 h / Heating

3.1: NaOEt / ethanol / 0.08 h

3.2: 51 percent / ethanol / 24 h / Heating

With sodium ethanolate; potassium carbonate; In ethanol; butanone;
DOI:10.1016/j.bmc.2003.08.012