4-Chloro-5,6-dimethylpyrimidin-2-amine

Base Information

• Chemical Name: 4-Chloro-5,6-dimethylpyrimidin-2-amine
• CAS No.: 14394-61-7
• Molecular Formula: C6H8 Cl N3
• Molecular Weight: 157.603
• Hs Code.: 2933599090
• NSC Number: 66053
• DSSTox Substance ID: DTXSID20289996
• Wikidata: Q82027561
• Mol file: 14394-61-7.mol

Synonyms:4-chloro-5,6-dimethylpyrimidin-2-amine;14394-61-7;4-Chloro-5,6-dimethyl-pyrimidin-2-ylamine;2-amino-4-chloro-5,6-dimethylpyrimidine;2-pyrimidinamine, 4-chloro-5,6-dimethyl-;2-AMino-4-chloro-5,6-diMethylpyriMidine, 97per cent;NSC66053;SCHEMBL559332;DTXSID20289996;MFCD00462111;NSC 66053;NSC-66053;STK368811;AKOS000300358;SB56303;CS-0045830;2-Amino-4-chloro-5,6-dimethylpyrimidine 97%;2-Amino-4-chloro-5,6-dimethylpyrimidine, 97%;EN300-7219243;SR-01000396921;SR-01000396921-1;F0451-0962

Chemical Property of 4-Chloro-5,6-dimethylpyrimidin-2-amine

Chemical Property:

• Vapor Pressure: 7.73E-05mmHg at 25°C
• Melting Point: 217-222°C
• Boiling Point: 342°Cat760mmHg
• PKA: 4.67±0.10(Predicted)
• Flash Point: 160.7°C
• PSA: 51.80000
• Density: 1.284g/cm³
• LogP: 1.91020
• Solubility.: Soluble in Chloroform and Ethanol
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 157.0406750
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-5,6-dimethylpyrimidin-2-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(N=C1Cl)N)C
• Uses: It is used as a pharmaceutical intermediate.

Technology Process of 4-Chloro-5,6-dimethylpyrimidin-2-amine

There total 9 articles about 4-Chloro-5,6-dimethylpyrimidin-2-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: 43.0%

2-amino-5,6-dimethyl-4-pyrimidinone (570415-47-3) → 2-amino-4-chloro-5,6-dimethyl-pyrimidine (14394-61-7)

Guidance literature:

With trichlorophosphate; for 4h; Heating / reflux;

Reference yield:

2-amino-5,6-dimethyl-4(3H)-pyrimidinone (3977-23-9) → 2-amino-4-chloro-5,6-dimethyl-pyrimidine (14394-61-7)

Guidance literature:

With trichlorophosphate;

DOI:10.1021/ja01204a044

Reference yield:

2-acetylpropanoic acid ethyl ester (609-14-3) → 2-amino-4-chloro-5,6-dimethyl-pyrimidine (14394-61-7)

Guidance literature:

Multi-step reaction with 2 steps

2: POCl₃

With trichlorophosphate;

DOI:10.1021/ja01204a044

upstream raw materials:

2-amino-5,6-dimethyl-4(3H)-pyrimidinone

2,4-dichloro-5,6-dimethylpyrimidine

ammonia

2-acetylpropanoic acid ethyl ester

Downstream raw materials:

N⁴-(2-dimethylamino-ethyl)-5,6-dimethyl-pyrimidine-2,4-diyldiamine

N⁴-(3-dimethylamino-propyl)-5,6-dimethyl-pyrimidine-2,4-diyldiamine

4,5-dimethylpyrimidin-2-amine

2,4-Diamino-5,6-dimethylpyrimidin

Refernces

• 1、 -. "BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE". Page/Page column 259. . Retrieved 2012/06/15.
• 2、 -. "RHO-KINASE INHIBITORS". Page/Page column 10-11. . Retrieved 2008/06/13.