5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine

Base Information

Chemical Name:5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CAS No.:113494-31-8
Molecular Formula:C11H11ClN4
Molecular Weight:234.688
Hs Code.:
ChEMBL ID:CHEMBL22039
DSSTox Substance ID:DTXSID60552636
Wikidata:Q82432993
Mol file:113494-31-8.mol

Synonyms:113494-31-8;5-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine;TCMDC-137375;CHEMBL22039;BDBM18785;DTXSID60552636

Suppliers and Price of 5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine

Supply Marketing:

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

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Chemical Property of 5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:234.0672241
Heavy Atom Count:16
Complexity:238

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=NC(=N1)N)N)C2=CC(=CC=C2)Cl

Technology Process of 5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine

There total 4 articles about 5-(3-Chlorophenyl)-6-methylpyrimidine-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:

: 1529-41-5
3-chloro-benzeneacetonitrile

: 113494-31-8
2,4-diamino-5-(3-chlorophenyl)-6-methylpyrimidine

Guidance literature:: Multi-step reaction with 3 steps

1.1: LDA / tetrahydrofuran / 0.17 h / -78 °C

1.2: tetrahydrofuran / -78 °C

2.1: dioxane / 20 °C

3.1: dimethylsulfoxide / 0.08 h / 80 °C

With lithium diisopropyl amide; In tetrahydrofuran; 1,4-dioxane; dimethyl sulfoxide;
DOI:10.1021/jm010131q

Reference yield:

: 113-00-8
guanidine nitrate

: (E)-2-(3-Chloro-phenyl)-3-methoxy-but-2-enenitrile

: 113494-31-8
2,4-diamino-5-(3-chlorophenyl)-6-methylpyrimidine

Guidance literature:: In dimethyl sulfoxide; at 80 ℃; for 0.0833333h;
DOI:10.1021/jm010131q

Reference yield:

: 14123-79-6
2-(3-chloro-phenyl)-acetoacetonitrile

: 113494-31-8
2,4-diamino-5-(3-chlorophenyl)-6-methylpyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: dioxane / 20 °C

2: dimethylsulfoxide / 0.08 h / 80 °C

In 1,4-dioxane; dimethyl sulfoxide;
DOI:10.1021/jm010131q