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Home > Encyclopedia > tert-Butyl 7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate

tert-Butyl 7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate

tert-Butyl 7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate structure

tert-Butyl 7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate 

structure
  • CAS No:

    192869-49-1

  • Formula:

    C12H17N3O2

  • Chemical Name:

    tert-Butyl 7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate

  • Synonyms:

    tert-Butyl 7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate;tert-butyl 5H,6H,7H,8H-pyrido[4,3-d]pyriMidine-6-carboxylate;7,8-Dihydro-5H-pyrido[4,3-d]pyriMidine-6-carboxylic acid tert-butyl ester;6-Boc-5,6,7,8-tetrahydropyrido[4,3-d]pyriMidine;7,8-Dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid 1,1-dimethylethyl ester;tert-Butyl 7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

tert-Butyl 7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate Basic Attributes

235.285

235.132080

DTXSID80627633

2933990090

Characteristics

55.3

1

1.170±0.06 g/cm3(Predicted)

361.2±42.0 °C(Predicted)

172.2±27.9 °C

1.539

tert-Butyl 7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate Use and Manufacturing

Methyl hydrazine acetate (403 mg, 3.87 mmol) was suspended in 15 mL of absolute ethanol solution and sodium ethoxide (395 mg, 5.81 mmol) was added. The reaction solution was stirred under nitrogen for 30 minutes at room temperature.Compound 37B (984 mg, 3.87 mmol) was dissolved in 10 mLIn the absolute ethanol, the solution was added dropwise to the stirred reaction system. After the addition is completed, the temperature is raised to the reflux temperature, under nitrogen protection.The reaction was stirred overnight. The reaction solution was quenched with water and the ethanol was spun off.The aqueous phase was extracted three times with ethyl acetate and dried.Purification with petroleum ether / ethyl acetate = 2:1 to give compound 37B as a yellow oil.(715 mg, 78percent yield).

Computed Properties

Molecular Weight:235.28
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:235.132076794
Monoisotopic Mass:235.132076794
Topological Polar Surface Area:55.3
Heavy Atom Count:17
Complexity:288
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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