4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid

Base Information

Chemical Name:4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid
CAS No.:1201691-04-4
Molecular Formula:C₂₀H₂₁F₂N₅O₄
Molecular Weight:433.415
Hs Code.:

Synonyms:4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid

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Chemical Property of 4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid

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Technology Process of 4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid

There total 4 articles about 4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic 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:

: 1201693-60-8
2-chloro-9-cyclobutyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

: 2486-69-3
3-methoxy-4-aminobenzoic acid

: 1201691-04-4
4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid

Guidance literature:: With hydrogenchloride; In ethanol; water; for 18h; Reflux;

Reference yield:

: 1201693-95-9
3-cyclobutylamino-2,2-difluoropropionic acid ethyl ester

: 1201691-04-4
4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: sodium hydrogencarbonate / ethyl acetate / 18 h / 0 - 20 °C

2: iron; acetic acid / 2 h / 80 °C

3: caesium carbonate / N,N-dimethyl-formamide / 3 h / 20 °C

4: hydrogenchloride / ethanol; water / 18 h / Reflux

With hydrogenchloride; iron; sodium hydrogencarbonate; caesium carbonate; acetic acid; In ethanol; water; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2011.11.052

Reference yield:

: 1201693-58-4
3-[(2-chloro-5-nitro-pyrimidin-4-yl)-cyclobutyl-amino]-2,2-difluoro-propionic acid ethyl ester

: 1201691-04-4
4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: iron; acetic acid / 2 h / 80 °C

2: caesium carbonate / N,N-dimethyl-formamide / 3 h / 20 °C

3: hydrogenchloride / ethanol; water / 18 h / Reflux

With hydrogenchloride; iron; caesium carbonate; acetic acid; In ethanol; water; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2011.11.052