4,6-Dichloro-5-methoxypyrimidine

Base Information

• Chemical Name: 4,6-Dichloro-5-methoxypyrimidine
• CAS No.: 5018-38-2
• Molecular Formula: C5H4Cl2N2O
• Molecular Weight: 179.006
• Hs Code.: 2933599090
• European Community (EC) Number: 225-699-1
• NSC Number: 252184
• UNII: LT6L8EYV2M
• DSSTox Substance ID: DTXSID90198228
• Nikkaji Number: J125.890G
• Wikidata: Q72466697
• Mol file: 5018-38-2.mol

Synonyms:4,6-Dichloro-5-methoxypyrimidine;5018-38-2;MFCD00087680;Pyrimidine, 4,6-dichloro-5-methoxy-;EINECS 225-699-1;NSC-252184;4,6-dichlor-5-methoxypyrimidin;4,6-dichloro-5-methoxy-pyrimidine;4,6-Dichloro-5-methoxy pyrimidine;NSC252184;O(C)c1c(Cl)ncnc1Cl;LT6L8EYV2M;SCHEMBL288911;DTXSID90198228;4,6 dichloro-5-methoxypyrimidine;Pyrimidine,6-dichloro-5-methoxy-;AB2807;BBL101086;STL554880;AKOS005256730;CS-W017299;NSC 252184;PS-3885;SB57235;4,6-Dichloro-5-methoxypyrimidine, 97%;SY016071;AM20100227;D4723;FT-0600945;EN300-82634;W-105980

Chemical Property of 4,6-Dichloro-5-methoxypyrimidine

Chemical Property:

• Vapor Pressure: 0.023mmHg at 25°C
• Melting Point: 66-68 °C
• Refractive Index: 1.541
• Boiling Point: 257.8 °C at 760 mmHg
• PKA: -4.13±0.26(Predicted)
• Flash Point: 109.7 °C
• PSA: 35.01000
• Density: 1.446 g/cm³
• LogP: 1.79200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.9700681
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

4,6-Dichloro-5-methoxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(N=CN=C1Cl)Cl
• Uses: 4,6-Dichloro-5-methoxypyrimidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 4,6-Dichloro-5-methoxypyrimidine

There total 2 articles about 4,6-Dichloro-5-methoxypyrimidine 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: 86.0%

4,6-Dihydroxy-5-methoxypyrimidine (5193-84-0) → 4,6-dichloro-5-methoxypyrimidine (5018-38-2)

Guidance literature:

With triethylamine; trichlorophosphate; In toluene; at 100 - 105 ℃; for 1.5h; Reflux;

Reference yield:

→ 4,6-dichloro-5-methoxypyrimidine (5018-38-2)

Guidance literature:

4.6-Dihydroxy-5-methoxy-pyrimidin-Na-Salz, 1.) POCl3, 2.) Dimethylanilin;

DOI:10.1007/BF01185885

Reference yield: 100.0%

4-amino-3-nitrophenylboronic acid pinacol ester (833486-94-5) + 4,6-dichloro-5-methoxypyrimidine (5018-38-2) → 4-(6-chloro-5-methoxypyrimidin-4-yl)-2-nitroaniline

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,4-dioxane; water; at 80 ℃; for 3h;

upstream raw materials:

4,6-Dihydroxy-5-methoxypyrimidine

Downstream raw materials:

6-chloro-5-methoxypyrimidine-4-amine

4-(5-Methoxy-4-pyrimidinyl)-2-methylpiperazine

5-methoxy-4-piperazin-1-yl-pyrimidine

3-(S)-(6-chloro-5-methoxypyrimidin-4-ylamino)piperidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION". . . Retrieved 2009/12/04.
• 2、 -. "INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION". . . Retrieved 2008/06/13.