2-((6-Chloro-5-(2,3-dibromopropyl)-2-methyl-4-pyrimidinyl)amino)ethanol

Base Information

• Chemical Name: 2-((6-Chloro-5-(2,3-dibromopropyl)-2-methyl-4-pyrimidinyl)amino)ethanol
• CAS No.: 85826-40-0
• Molecular Formula: C₁₀H₁₄Br₂ClN₃O
• Molecular Weight: 387.502
• DSSTox Substance ID: DTXSID701006406
• Mol file: 85826-40-0.mol

Synonyms:BRN 5054773;85826-40-0;2-((6-Chloro-5-(2,3-dibromopropyl)-2-methyl-4-pyrimidinyl)amino)ethanol;Ethanol, 2-((6-chloro-5-(2,3-dibromopropyl)-2-methyl-4-pyrimidinyl)amino)-;C10H14Br2ClN3O;DTXSID701006406;C10-H14-Br2-Cl-N3-O;STL324680;AKOS022124329;LS-66564;2-{[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino}ethanol;2-{[6-Chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4(3H)-ylidene]amino}ethan-1-ol

Chemical Property of 2-((6-Chloro-5-(2,3-dibromopropyl)-2-methyl-4-pyrimidinyl)amino)ethanol

Chemical Property:

• Vapor Pressure: 7.18E-10mmHg at 25°C
• Boiling Point: 476.1°C at 760 mmHg
• Flash Point: 241.7°C
• Density: 1.813g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 386.91717
• Heavy Atom Count: 17
• Complexity: 226

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(C(=N1)Cl)CC(CBr)Br)NCCO

Technology Process of 2-((6-Chloro-5-(2,3-dibromopropyl)-2-methyl-4-pyrimidinyl)amino)ethanol

There total 4 articles about 2-((6-Chloro-5-(2,3-dibromopropyl)-2-methyl-4-pyrimidinyl)amino)ethanol 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: 87.5%

2-(5-Allyl-6-chloro-2-methyl-pyrimidin-4-ylamino)-ethanol (85826-36-4) → 2-[6-Chloro-5-(2,3-dibromo-propyl)-2-methyl-pyrimidin-4-ylamino]-ethanol (85826-40-0)

Guidance literature:

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

DOI:10.1007/BF00765165

Reference yield:

(2-propenyl)propanedioic acid diethyl ester (2049-80-1) → 2-[6-Chloro-5-(2,3-dibromo-propyl)-2-methyl-pyrimidin-4-ylamino]-ethanol (85826-40-0)

Guidance literature:

Multi-step reaction with 4 steps

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

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

3: 90.5 percent / ethanol / 6 h / Heating

4: 87.5 percent / bromine / CHCl₃ / 3 h / Heating

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

DOI:10.1007/BF00765165

Reference yield:

5-Allyl-2-methyl-4,6-dihydroxypyrimidine (85826-32-0) → 2-[6-Chloro-5-(2,3-dibromo-propyl)-2-methyl-pyrimidin-4-ylamino]-ethanol (85826-40-0)

Guidance literature:

Multi-step reaction with 3 steps

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

2: 90.5 percent / ethanol / 6 h / Heating

3: 87.5 percent / bromine / CHCl₃ / 3 h / Heating

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

DOI:10.1007/BF00765165

upstream raw materials:

2-(5-Allyl-6-chloro-2-methyl-pyrimidin-4-ylamino)-ethanol

(2-propenyl)propanedioic acid diethyl ester

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

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