4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-

Base Information

• Chemical Name: 4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-
• CAS No.: 85826-37-5
• Molecular Formula: C15H16ClN3
• Molecular Weight: 273.7606
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30235106
• Wikidata: Q83116958
• ChEMBL ID: CHEMBL1409482

Synonyms:85826-37-5;BRN 5065464;4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-;6-Chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-4-pyrimidinamine;N-BENZYL-6-CHLORO-2-METHYL-5-PROP-2-ENYL-PYRIMIDIN-4-AMINE;Oprea1_200890;MLS001195289;CHEMBL1409482;DTXSID30235106;HMS2814M14;N-benzyl-6-chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4-amine;STK099832;AKOS005396351;NCGC00247317-01;SMR000502694;(5-ALLYL-6-CHLORO-2-METHYL-PYRIMIDIN-4-YL)-BENZYL-AMINE

Chemical Property of 4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-

Chemical Property:

• Vapor Pressure: 5.64E-07mmHg at 25°C
• Boiling Point: 411.3°Cat760mmHg
• Flash Point: 202.6°C
• PSA: 41.04000
• Density: 1.197g/cm³
• LogP: 3.20090
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 273.1032752
• Heavy Atom Count: 19
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(C(=N1)Cl)CC=C)NCC2=CC=CC=C2

Technology Process of 4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-

There total 2 articles about 4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)- 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:

(2-propenyl)propanedioic acid diethyl ester (2049-80-1) → (5-Allyl-6-chloro-2-methyl-pyrimidin-4-yl)-benzyl-amine (85826-37-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 72.3 percent / CH₃ONa / methanol / 10 h / Heating

2: 60.6 percent / phosphoryl chloride, dimethylaniline / 7 h

3: 74.8 percent / ethanol / 6 h / Heating

With sodium methylate; 2,3-Dimethylaniline; trichlorophosphate; In methanol; ethanol;

DOI:10.1007/BF00765165

Reference yield:

5-Allyl-2-methyl-4,6-dihydroxypyrimidine (85826-32-0) → (5-Allyl-6-chloro-2-methyl-pyrimidin-4-yl)-benzyl-amine (85826-37-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 60.6 percent / phosphoryl chloride, dimethylaniline / 7 h

2: 74.8 percent / ethanol / 6 h / Heating

With 2,3-Dimethylaniline; trichlorophosphate; In ethanol;

DOI:10.1007/BF00765165

Reference yield: 80.3%

(5-Allyl-6-chloro-2-methyl-pyrimidin-4-yl)-benzyl-amine (85826-37-5) → Benzyl-[6-chloro-5-(2,3-dibromo-propyl)-2-methyl-pyrimidin-4-yl]-amine (85826-41-1)

Guidance literature:

With bromine; In chloroform; for 3h; Heating;

DOI:10.1007/BF00765165

upstream raw materials:

(2-propenyl)propanedioic acid diethyl ester

5-Allyl-2-methyl-4,6-dihydroxypyrimidine

Downstream raw materials:

Benzyl-[6-chloro-5-(2,3-dibromo-propyl)-2-methyl-pyrimidin-4-yl]-amine

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