[1-(6-Aminopurin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid

Base Information

Chemical Name:[1-(6-Aminopurin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid
CAS No.:135295-27-1
Molecular Formula:C₉H₁₃FN₅O₄P
Molecular Weight:305.205
Hs Code.:
DSSTox Substance ID:DTXSID50928947
Nikkaji Number:J472.265E
Mol file:135295-27-1.mol

Synonyms:3-FPMPA;9-(3-fluoro-2-phosphonylmethoxypropyl)adenine

Suppliers and Price of [1-(6-Aminopurin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of [1-(6-Aminopurin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid

Chemical Property:

Vapor Pressure:1.31E-17mmHg at 25°C
Boiling Point:646.8°Cat760mmHg
Flash Point:344.9°C
PSA：146.19000
Density:1.86g/cm³
LogP:0.47960
XLogP3:-1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:305.06891907
Heavy Atom Count:20
Complexity:372

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=NC(=C2C(=N1)N(C=N2)CC(CF)OCP(=O)(O)O)N

Technology Process of [1-(6-Aminopurin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid

There total 6 articles about [1-(6-Aminopurin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid 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: 65.0%

: 1072094-99-5
diethyl (1-(6-amino-9H-purin-9-yl)-3-fluoropropan-2-yloxy)methylphosphonate

: 135295-27-1
9-(RS)-(3-fluoro-2-phosphonomethoxypropyl)adenine

Guidance literature:: diethyl (1-(6-amino-9H-purin-9-yl)-3-fluoropropan-2-yloxy)methylphosphonate; With trimethylsilyl bromide; In N,N-dimethyl-formamide;

With water; Further stages.;
DOI:10.1002/jlcr.1505

Reference yield:

: 138870-28-7
1-(6-amino-9H-purin-9-yl)-3-fluoropropan-2-ol

: 135295-27-1
9-(RS)-(3-fluoro-2-phosphonomethoxypropyl)adenine

Guidance literature:: Multi-step reaction with 5 steps

1: pyridine / 1 h / Ambient temperature

2: pyridine / 2 h / Ambient temperature

3: ammonia / H₂O / 0.5 h / 0 °C

4: NaH / dimethylformamide / 1.) room temperature, 30 min, 2.) room temperature, 16 h; 80 deg C, 16 h

5: 1.) sodium methoxide, 2.) bromotrimethylsilane / 1.) methanol, room temperature, 16 h, 2.) acetonitrile, room temperature, 3 d

With trimethylsilyl bromide; ammonia; sodium methylate; sodium hydride; In pyridine; water; N,N-dimethyl-formamide;
DOI:10.1135/cccc19931645

Reference yield:

: 9-(3-Fluoro-2-trimethylsilanyloxy-propyl)-9H-purin-6-ylamine

: 135295-27-1
9-(RS)-(3-fluoro-2-phosphonomethoxypropyl)adenine

Guidance literature:: Multi-step reaction with 4 steps

1: pyridine / 2 h / Ambient temperature

2: ammonia / H₂O / 0.5 h / 0 °C

3: NaH / dimethylformamide / 1.) room temperature, 30 min, 2.) room temperature, 16 h; 80 deg C, 16 h

4: 1.) sodium methoxide, 2.) bromotrimethylsilane / 1.) methanol, room temperature, 16 h, 2.) acetonitrile, room temperature, 3 d

With trimethylsilyl bromide; ammonia; sodium methylate; sodium hydride; In pyridine; water; N,N-dimethyl-formamide;
DOI:10.1135/cccc19931645