BPO-27 (racemate)

Base Information

• Chemical Name: BPO-27 (racemate)
• CAS No.: 1314873-02-3
• Molecular Formula: C₂₆H₁₈BrN₃O₆
• Molecular Weight: 548.349
• UNII: T5WV2JH7PN
• Pharos Ligand ID: 1VGUPJ96CLDB
• ChEMBL ID: CHEMBL1831075

Synonyms:BPO-27 (racemate);BPO-27 racemate;1314873-02-3;BPO-27;CHEMBL1831075;9-(5-bromofuran-2-yl)-12,14-dimethyl-13,15-dioxo-17-phenyl-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-4-carboxylic acid;BPO-27 racemat;BPO-27(racemate);T5WV2JH7PN;SCHEMBL14233234;VPO-227;GLXC-26049;BDBM50353351;HY-19778A;AKOS040732642;CS-6271;CID 71108905;MS-30042;(+-)-9-(5-bromofuran-2-yl)-12,14-dimethyl-13,15-dioxo-17-phenyl-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-4-carboxylic acid;6-(5-Bromo-2-furanyl)-7,8,9,10-tetrahydro-7,9-dimethyl-8,10-dioxo-11-phenyl-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-2-carboxylic acid;6-(5-Bromofuran-2-yl)-7,9-dimethyl-8,10-dioxo-11-phenyl-7,8,9,10-tetrahydro-6H-benzo[b]pyrimido[4',5':3,4]pyrrolo[1,2-d][1,4]oxazine-2-carboxylic acid;6H-Pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-2-carboxylic acid, 6-(5-bromo-2-furanyl)-7,8,9,10-tetrahydro-7,9-dimethyl-8,10-dioxo-11-phenyl-

Chemical Property of BPO-27 (racemate)

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 547.03790
• Heavy Atom Count: 36
• Complexity: 914

Purity/Quality:

97% ^*data from raw suppliers

BPO-27racemat >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=C3C(OC4=C(N3C(=C2C(=O)N(C1=O)C)C5=CC=CC=C5)C=C(C=C4)C(=O)O)C6=CC=C(O6)Br

Technology Process of BPO-27 (racemate)

There total 6 articles about BPO-27 (racemate) 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: 83.2%

ethyl 6-(5-bromofuran-2-yl)-7,9-dimethyl-8,10-dioxo-11-phenyl-7,8,9,10-tetrahydro-6H-benzo[b]pyrimido[4',5':3,4]pyrrolo[1,2-d][1,4]oxazine-2-carboxylate (1314873-00-1) → 6-(5-bromofuran-2-yl)-7,9-dimethyl-8,10-dioxo-11-phenyl-7,8,9,10-tetrahydro-6H-benzo[b]pyrimido[4',5':3,4]pyrrolo[1,2-d][1,4]oxazine-2-carboxylic acid (1314873-02-3)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; for 72h;

DOI:10.1021/jm200505e

Reference yield:

ethyl 3-(1,3-dimethyl-2,4-dioxo-5-phenyl-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)-4-hydroxybenzoate (1314872-90-6) → 6-(5-bromofuran-2-yl)-7,9-dimethyl-8,10-dioxo-11-phenyl-7,8,9,10-tetrahydro-6H-benzo[b]pyrimido[4',5':3,4]pyrrolo[1,2-d][1,4]oxazine-2-carboxylic acid (1314873-02-3)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid / chloroform / 0.4 h / 150 °C / Molecular sieve

2: potassium hydroxide / tetrahydrofuran / 72 h

With trifluoroacetic acid; potassium hydroxide; In tetrahydrofuran; chloroform;

DOI:10.1021/jm200505e

Reference yield:

6-Methyluracil (626-48-2) → 6-(5-bromofuran-2-yl)-7,9-dimethyl-8,10-dioxo-11-phenyl-7,8,9,10-tetrahydro-6H-benzo[b]pyrimido[4',5':3,4]pyrrolo[1,2-d][1,4]oxazine-2-carboxylic acid (1314873-02-3)

Guidance literature:

Multi-step reaction with 6 steps

1: sodium hydroxide / water / 72 h / 25 °C

2: zinc(II) chloride / chlorobenzene / 3 h / Reflux

3: water; bromine / tetrachloromethane; dichloromethane / 0.17 h / 50 °C

4: ethanol / 2 h / Reflux

5: trifluoroacetic acid / chloroform / 0.4 h / 150 °C / Molecular sieve

6: potassium hydroxide / tetrahydrofuran / 72 h

With water; bromine; trifluoroacetic acid; potassium hydroxide; sodium hydroxide; zinc(II) chloride; In tetrahydrofuran; tetrachloromethane; ethanol; dichloromethane; chloroform; water; chlorobenzene; 2: Friedel Crafts acylation;

DOI:10.1021/jm200505e

upstream raw materials:

6-Methyluracil

ethyl 3-(1,3-dimethyl-2,4-dioxo-5-phenyl-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)-4-hydroxybenzoate

ethyl 6-(5-bromofuran-2-yl)-7,9-dimethyl-8,10-dioxo-11-phenyl-7,8,9,10-tetrahydro-6H-benzo[b]pyrimido[4',5':3,4]pyrrolo[1,2-d][1,4]oxazine-2-carboxylate

1,3,6-trimethyluracil

Downstream raw materials:

6-(S)-(5-bromofuran-2-yl)-7,9-dimethyl-8,10-dioxo-11-phenyl-7,8,9,10-tetrahydro-6H-benzo[b]pyrimido[4',5':3,4]pyrrolo[1,2-d][1,4]oxazine-2-carboxylic acid

C₂₈H₂₂BrN₃O₆

C₂₆H₁₈BrN₃O₆*C₃H₉N

C₂₆H₁₈BrN₃O₆*C₃H₉N

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