2-(Butane-1-sulfonyl)-6-(cyclohexylmethoxy)pyrimidin-4-amine

Base Information

• Chemical Name: 2-(Butane-1-sulfonyl)-6-(cyclohexylmethoxy)pyrimidin-4-amine
• CAS No.: 651733-96-9
• Molecular Formula: C15H25N3O3S
• Molecular Weight: 327.448
• DSSTox Substance ID: DTXSID30587339
• Nikkaji Number: J1.983.942G
• Wikidata: Q82479745

Synonyms:651733-96-9;2-(Butylsulfonyl)-6-(cyclohexylmethoxy)pyrimidin-4-amine;DTXSID30587339;2-(BUTANE-1-SULFONYL)-6-(CYCLOHEXYLMETHOXY)PYRIMIDIN-4-AMINE

Chemical Property of 2-(Butane-1-sulfonyl)-6-(cyclohexylmethoxy)pyrimidin-4-amine

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 327.16166284
• Heavy Atom Count: 22
• Complexity: 418

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCS(=O)(=O)C1=NC(=CC(=N1)OCC2CCCCC2)N

Technology Process of 2-(Butane-1-sulfonyl)-6-(cyclohexylmethoxy)pyrimidin-4-amine

There total 2 articles about 2-(Butane-1-sulfonyl)-6-(cyclohexylmethoxy)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: 89.0%

2-n-butylsulfanyl-4-cyclohexylmethoxypyrimidin-6-ylamine (945618-70-2) → 2-(n-butane-1-sulfonyl)-4-cyclohexylmethoxypyrimidin-6-ylamine (651733-96-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 17h;

DOI:10.1039/b703241b

Reference yield:

6-amino-2-n-butylsulfanyl-H3-pyrimidin-4-one (57939-39-6) → 2-(n-butane-1-sulfonyl)-4-cyclohexylmethoxypyrimidin-6-ylamine (651733-96-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / PPh₃; DEAD / tetrahydrofuran / 24 h / 0 °C

2: 89 percent / mCPBA / CH₂Cl₂ / 17 h

With 3-chloro-benzenecarboperoxoic acid; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; dichloromethane; 1: Mitsunobu reaction;

DOI:10.1039/b703241b

Reference yield: 69.0%

sulfanilamide (63-74-1) + 2-(n-butane-1-sulfonyl)-4-cyclohexylmethoxypyrimidin-6-ylamine (651733-96-9) → 4-(4-amino-6-cyclohexylmethoxy-pyrimidin-2-ylamino)-benzenesulfonamide (610755-02-7)

Guidance literature:

trifluoroacetic acid; In 2,2,2-trifluoroethanol; for 2h; Heating;

DOI:10.1039/b703241b

upstream raw materials:

2-n-butylsulfanyl-4-cyclohexylmethoxypyrimidin-6-ylamine

6-amino-2-n-butylsulfanyl-H³-pyrimidin-4-one

Downstream raw materials:

4-(6-amino-4-cyclohexylmethoxypyrimidin-2-ylamino)benzamide

6-(cyclohexylmethoxy)-N²-(4-methoxyphenyl)pyrimidine-2,4-diamine

4-(4-amino-6-cyclohexylmethoxy-pyrimidin-2-ylamino)-benzenesulfonamide

6-cyclohexylmethoxy-N²-(4-methylsulfanyl-phenyl)-pyrimidine-2,4-diamine

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