4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine

Base Information

• Chemical Name: 4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine
• CAS No.: 325685-59-4
• Molecular Formula: C12H11 Cl N2 O
• Molecular Weight: 234.685
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID60377205
• Wikidata: Q82166330
• Mol file: 325685-59-4.mol

Synonyms:4-chloro-6-(methoxymethyl)-2-phenylpyrimidine;325685-59-4;4-Chloro-6-methoxymethyl-2-phenylpyrimidine;(6-chloro-2-phenyl-4-pyrimidinyl)methyl methyl ether;Bionet2_000952;(6-chloro-2-phenyl-4-pyrimidinyl)methylmethyl ether;SCHEMBL2539831;DTXSID60377205;HMS1366L06;MFCD00794769;AKOS005070507;4L-516S;SB57991;BB 0219803;CS-0128373;FT-0680373;W13737;A875584;J-515077;(6-chloro-2-phenyl-4-pyrimidinyl)methyl methyl ether, AldrichCPR

Chemical Property of 4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine

Chemical Property:

• Vapor Pressure: 0.0221mmHg at 25°C
• Melting Point: 54-56ºC
• Refractive Index: 1.571
• Boiling Point: 258.5°Cat760mmHg
• PKA: -1.37±0.32(Predicted)
• Flash Point: 110.1°C
• PSA: 35.01000
• Density: 1.22g/cm³
• LogP: 2.94340
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 234.0559907
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

(6-Chloro-2-phenyl-4-pyrimidinyl)methylmethyl ether >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC1=CC(=NC(=N1)C2=CC=CC=C2)Cl

Technology Process of 4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine

There total 6 articles about 4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine 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: 94.0%

6-methoxymethyl-2-phenylpyrimidin-4-ol (339278-89-6) → 4-chloro-6-methoxymethyl-2-phenylpyrimidine (325685-59-4)

Guidance literature:

With trichlorophosphate; for 2h; Reflux;

DOI:10.1021/acs.jmedchem.5b00933

Reference yield:

benzamidine monohydrochloride (1670-14-0) → 4-chloro-6-methoxymethyl-2-phenylpyrimidine (325685-59-4)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOMe / methanol; ethanol / 21 h / Heating

2: 29.0 g / POCl₃ / 3 h / Heating

With sodium methylate; trichlorophosphate; In methanol; ethanol;

DOI:10.1002/1521-3765(20001117)6:22<4124::AID-CHEM4124>3.0.CO;2-M

Reference yield:

4-methoxyacetoacetic acid methylester (41051-15-4) → 4-chloro-6-methoxymethyl-2-phenylpyrimidine (325685-59-4)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOMe / methanol; ethanol / 21 h / Heating

2: 29.0 g / POCl₃ / 3 h / Heating

With sodium methylate; trichlorophosphate; In methanol; ethanol;

DOI:10.1002/1521-3765(20001117)6:22<4124::AID-CHEM4124>3.0.CO;2-M

upstream raw materials:

4-(methoxymethyl)-2-phenylpyrimidine

4-methoxyacetoacetic acid methylester

benzamidine monohydrochloride

6-methoxymethyl-2-phenylpyrimidin-4-ol

Downstream raw materials:

4-Chloro-6-hydroxymethyl-2-phenylpyrimidine

1-(6-(methoxymethyl)-2-phenylpyrimidin-4-yl)-1-methylhydrazine

6-(6-methoxymethyl-2-phenylpyrimidin-4-yl)-2,2'-bipyridine

4-{(S)-2-[(6-amino-2-phenyl-pyrimidine-4-carbonyl)-amino]-4-tert-butoxycarbonyl-butyryl}-piperazine-1-carboxylic acid ethyl ester