4-Amino-2,6-dichloropyrimidine

Base Information

• Chemical Name: 4-Amino-2,6-dichloropyrimidine
• CAS No.: 10132-07-7
• Molecular Formula: C4H3Cl2N3
• Molecular Weight: 163.994
• Hs Code.: 29333999
• European Community (EC) Number: 233-369-3
• NSC Number: 51667
• DSSTox Substance ID: DTXSID0064961
• Nikkaji Number: J38.363E
• Wikidata: Q72435786
• Mol file: 10132-07-7.mol

Synonyms:4-Amino-2,6-dichloropyrimidine;10132-07-7;2,6-Dichloropyrimidin-4-amine;6-Amino-2,4-dichloropyrimidine;4-Pyrimidinamine, 2,6-dichloro-;2,6-dichloro-4-aminopyrimidine;2,4-Dichloro-6-aminopyrimidine;Pyrimidine, 4-amino-2,6-dichloro-;MFCD00038015;2,4-dichloro-6-amino pyrimidine;EINECS 233-369-3;NSC 51667;2,6-Dichloro-pyrimidin-4-ylamine;NSC51667;4-Pyrimidinamine,6-dichloro-;SCHEMBL246058;4-Amino-2,6-dichlorpyrimidin;2,6-Dichloro-4-pyrimidinamine;2,6-dichloropyrimidine-4-amine;DTXSID0064961;2,6-Dichloro-4-pyrimidinamine #;2,6-Dichloro pyrimidine -4-amine;2,6-dichloro-pyrimidin-4-yl-amine;Pyrimidin-4-amine, 2,6-dichloro-;BBL034697;NSC-51667;STL415947;AKOS008901384;AC-3072;CS-W019530;PS-5666;SB12738;4-Amino-2,6-dichloropyrimidine, 95%;BP-10868;SY003746;AM20070662;FT-0600913;EN300-84345;Q-102303

Chemical Property of 4-Amino-2,6-dichloropyrimidine

Chemical Property:

• Appearance/Colour: cream to light brown crystalline powder
• Vapor Pressure: 0.000261mmHg at 25°C
• Melting Point: 258-267 °C
• Refractive Index: 1.633
• Boiling Point: 323.5 °C at 760 mmHg
• PKA: -0.86±0.10(Predicted)
• Flash Point: 149.5 °C
• PSA: 51.80000
• Density: 1.606 g/cm³
• LogP: 1.94680
• Storage Temp.: 2-8°C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.9704025
• Heavy Atom Count: 9
• Complexity: 99.8

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-2,6-dichloropyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-20/21/22
• Safety Statements: 26-36/37-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(N=C1Cl)Cl)N
• Uses: It is used in the Suzuki coupling of 5-chloro-2-methoxyphenyl boronic acid with 4-amino-2,6-dichloropyrimidine yielded aminochloropyrimidine.

Technology Process of 4-Amino-2,6-dichloropyrimidine

There total 6 articles about 4-Amino-2,6-dichloropyrimidine 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: 85.0%

6-amino-2,4-dihydroxypyrimidine (873-83-6,143505-00-4) → 4-amino-2,6-dichloropyrimidine (10132-07-7)

Guidance literature:

With pyridine; trichlorophosphate; at 160 ℃; for 2h; Autoclave; neat (no solvent);

DOI:10.3390/molecules17044533

Reference yield:

2,4,6-trichloropyrimidine (3764-01-0) → 4-amino-2,6-dichloropyrimidine (10132-07-7) + 2-Amino-4,6-dichloropyrimidine (56-05-3)

Guidance literature:

With ethanol; ammonia;

Reference yield:

2,4,6-trichloropyrimidine (3764-01-0) + ammonia (7664-41-7) → 4-amino-2,6-dichloropyrimidine (10132-07-7) + 2-Amino-4,6-dichloropyrimidine (56-05-3)

Guidance literature:

at 100 ℃;

upstream raw materials:

2,4,6-trichloropyrimidine

4-Amino-2,6-dihydroxypyrimidine

N,N-diethylaniline

ammonia

Downstream raw materials:

N²-ethyl-6-chloro-pyrimidine-2,4-diyldiamine

4-Amino-6-chlor-2-dimethylamino-pyrimidin

pyrimidin-4-amine

6-iodopyrimidin-4-ylamine

Refernces

• 1、 Wang, Han,Wen, Kun,Wang, Le,Xiang, Ye,Xu, Xiaocheng,Shen, Yongjia,Sun, Zhihua. "Large-scale solvent-free chlorination of hydroxy-pyrimidines,-pyridines,- pyrazines and-amides using equimolar POCl3". . p. 4533 - 4544. Retrieved 2012.