2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine

Base Information

• Chemical Name: 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine
• CAS No.: 761440-16-8
• Molecular Formula: C13H13Cl2N3O2S
• Molecular Weight: 346.237
• Hs Code.: 2933599090
• Mol file: 761440-16-8.mol

Synonyms:(2,5-Dichloropyrimidin-4-yl)[2-[(propan-2-yl)sulfonyl]phenyl]amine; 4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]-; (2,5-Dichloropyrimidin-4-yl)[2-(propane-2-sulfonyl)phenyl]-amine; 2,5-Dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]-4-pyrimidinamine; 2,5-Dichloro-N-[2-(propane-1-sulfonyl)phenyl]pyrimidin-4-amine; (2,5-Dichloro-pyrimidin-4-yl)-[2-(propane-1-sulfony)-phenyl]-amine; 2,5-Dichloro-N-(2-(iso-propylsulfonyl)phenyl)-pyrimidin-4-amine; 2,5-Dichloro-N-(2-(isopropylsulfonyl)-phenyl)pyrimidin-4-amine; 2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine; 2,5-dichloro-n-(2-((1-methylethyl)sulfonyl)phenyl)-4-pyrimidinamine; 2,5-dichloro-N-(2-(isopropyl sulfonyl)phenyl)-pyrimidine-4-amine

Chemical Property of 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine

Chemical Property:

• Melting Point: 149.0 to 153.0 °C
• Boiling Point: 538℃
• PKA: -0.03±0.10(Predicted)
• Flash Point: 279℃
• PSA: 80.33000
• Density: 1.436
• LogP: 4.86290
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine is used as a reagent in the synthesis of potent and selective anaplastic lymphoma kinase (ALK-5) inhibitors, used as an anti-tumor treatment.

Technology Process of 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine

There total 17 articles about 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine 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: 92.1%

1-amino-2-(isopropylsulphonyl)benzene (76697-50-2) + 2,4,5-trichloropyrimidine (5750-76-5) → 2-chloro-N-(2-(isopropylsulfonyl)phenyl)-5-methyl-pyrimidin-4-amine (761440-16-8)

Guidance literature:

With potassium tert-butylate; zinc diacetate; In 1-methyl-pyrrolidin-2-one; at 118 - 122 ℃; for 10h; Reagent/catalyst; Temperature; Solvent;

Reference yield: 92.0%

2,5-dichloro-N-[2-(propan-2-ylsulfanyl)phenyl]pyrimidin-4-amine (1632485-14-3) → 2-chloro-N-(2-(isopropylsulfonyl)phenyl)-5-methyl-pyrimidin-4-amine (761440-16-8)

Guidance literature:

2,5-dichloro-N-[2-(propan-2-ylsulfanyl)phenyl]pyrimidin-4-amine; With sodium tungstate (VI) dihydrate; acetic acid; In water; at 30 ℃; for 0.5h; Large scale;

With dihydrogen peroxide; In water; at 20 - 30 ℃; for 5h; Large scale;

With sodium sulfite; In water; at 20 - 30 ℃; for 4h; Temperature; Large scale;

Reference yield: 82.8%

2-hydroxy-5-chloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]-4-pyrimidinamine → 2-chloro-N-(2-(isopropylsulfonyl)phenyl)-5-methyl-pyrimidin-4-amine (761440-16-8)

Guidance literature:

With trichlorophosphate; In toluene; at 100 ℃; Temperature; Solvent;

upstream raw materials:

ortho-nitrofluorobenzene

1-amino-2-(isopropylsulphonyl)benzene

2,4,5-trichloropyrimidine

2-(isopropyl sulfanyl)nitrobenzene

Downstream raw materials:

C₃₄H₄₃ClN₆O₆S

5-chloro-N₂-(2-isopropoxy-5-methyl-4-morpholin-4-ylmethyl-phenyl)-N₄-[2-(propane-2-sulfonyl)-phenyl]-pyrimidine-2,4-diamine

4-(4-{5-chloro-4-[2-(propane-2-sulfonyl)phenylamino]pyrimidin-2-ylamino}-5-isopropoxy-2-methylphenyl)piperidine-1-carboxylic acid tert-butyl ester

5-chloro-N₄-(2-(isopropylsulfonyl)phenyl)-N₂-(3-nitrobenzyl)pyrimidine-2,4-diamine

Refernces

• 1、 -. "CDK inhibitor based on organic arsine as well as preparation method and application of CDK inhibitor". . . Retrieved 2021/03/31.
• 2、 -. "POTENT AND SELECTIVE DEGRADERS OF ALK". Paragraph 00212-00213. . Retrieved 2021/09/04.