tert-Butyl 5-bromo-2,3-dihydro-1H-isoindole-2-carboxylate

• CAS: 201940-08-1
• Catalog Number: ACM201940081
• Category: Other Products
• Molecular Weight: 298.175640 [g/mol]
• Molecular Formula: C₁₃H₁₆BrNO₂
• Synonyms: tert-Butyl 5-bromo-2,3-dihydro-1H-isoindole-2-carboxylate;Tert-butyl 5-bromoisoindoline-2-carboxylate
• IUPAC Name: tert-butyl 5-bromo-1,3-dihydroisoindole-2-carboxylate
• Canonical SMILES: CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)Br
• InChI Key: GOKHEUCWNVPUSC-UHFFFAOYSA-N
• Boiling Point: 354.7ºC at 760 mmHg
• Flash Point: 168.3ºC
• Density: 1.4g/cm³
• Exact Mass: 297.03600
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 24424-99-5
• 127168-84-7

• 201940-08-1

Reference: [1] Patent: US2017/275301, 2017, A1, . Location in patent: Paragraph 0226; 0228

Upstream Synthesis Route 2

• 24424-99-5

• 201940-08-1

Reference: [1] Patent: WO2017/40449, 2017, A1, . Location in patent: Paragraph 00449

Upstream Synthesis Route 3

• 24424-99-5
• 127168-84-7

• 201940-08-1

Reference: [1]Patent: US2017/275301,2017,A1 .Location in patent: Paragraph 0226; 0228

Downstream Synthesis Route 1

• 201940-08-1

• 226070-47-9

Reference: [1] Journal of the American Chemical Society, 2016, vol. 138, # 41, p. 13493 - 13496
[2] Angewandte Chemie - International Edition, 2018, vol. 57, # 7, p. 1968 - 1972[3] Angew. Chem., 2018, vol. 130, p. 1986 - 1990,5

Downstream Synthesis Route 2

• 201940-08-1
• 73183-34-3

• 905273-91-8

Reference: [1]Patent: WO2019/244049,2019,A1 .Location in patent: Paragraph 00180; 00212; 00214

Downstream Synthesis Route 3

• 201940-08-1

• 368441-44-5

Reference: [1]Patent: US2005/267018,2005,A1

* For details of the synthesis route, please refer to the original source to ensure accuracy.